[(2R,3aS,4R,5R,7aR)-3a,4-dimethyl-4'-methylidene-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-5-yl] (Z)-2-methylbut-2-enoate

PubChem CID: 76326384

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL2252626
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	24.0
Isotope Atom Count	0.0
Molecular Complexity	619.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Iupac Name	[(2R,3aS,4R,5R,7aR)-3a,4-dimethyl-4'-methylidene-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-5-yl] (Z)-2-methylbut-2-enoate
Prediction Hob	1.0
Xlogp	3.7
Molecular Formula	C20H28O4
Prediction Swissadme	1.0
Inchi Key	FJDDYDAPZXSWAP-ZWQIZNORSA-N
Fcsp3	0.7
Logs	-4.267
Rotatable Bond Count	3.0
Logd	3.822
Compound Name	[(2R,3aS,4R,5R,7aR)-3a,4-dimethyl-4'-methylidene-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-5-yl] (Z)-2-methylbut-2-enoate
Prediction Hob Swissadme	1.0
Exact Mass	332.199
Formal Charge	0.0
Monoisotopic Mass	332.199
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	332.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	1.0
Esol	-4.065628
Inchi	InChI=1S/C20H28O4/c1-6-12(2)17(21)24-16-8-7-15-9-20(11-19(15,5)14(16)4)13(3)10-23-18(20)22/h6,14-16H,3,7-11H2,1-2,4-5H3/b12-6-/t14-,15+,16+,19+,20+/m0/s1
Smiles	C/C=C(/C)\C(=O)O[C@@H]1CC[C@@H]2C[C@@]3(C[C@@]2([C@H]1C)C)C(=C)COC3=O
Nring	3.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Achillea Macrophylla (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Agathis Macrophylla (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Alibertia Macrophylla (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Alstonia Macrophylla (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Boehmeria Macrophylla (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Callicarpa Macrophylla (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Chionanthus Macrophylla (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Chonemorpha Macrophylla (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Clethra Macrophylla (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Cornus Macrophylla (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Cunonia Macrophylla (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Flemingia Macrophylla (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Garcinia Macrophylla (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Gentiana Macrophylla (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Glycosmis Macrophylla (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Hydrangea Macrophylla (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Leea Macrophylla (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Ligularia Altaica (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Ligularia Amplexicaule (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Ligularia Atroviolacea (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Ligularia Clivorum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Ligularia Cymbulifera (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Ligularia Dentata (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Ligularia Dictyoneura (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Ligularia Fischeri (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Ligularia Hodgsonii (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Ligularia Hookeri (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Ligularia Intermedia (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Ligularia Jacquemontiana (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Ligularia Lamarum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Ligularia Lapathifolia (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Ligularia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
33. Outgoing r'ship FOUND_IN to/from Ligularia Muliensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Ligularia Nelumbifolia (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Ligularia Platyglossa (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Ligularia Pleurocaulis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Ligularia Przewalskii (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Ligularia Sagitta (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Ligularia Songarica (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Ligularia Stenocephala (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Maesa Macrophylla (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Mitragyna Macrophylla (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Nicotiana Macrophylla (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Othonna Macrophylla (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Oxytropis Macrophylla (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Pentaclethra Macrophylla (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Primula Macrophylla (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Rabdosia Macrophylla (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Rosa Macrophylla (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Smilax Macrophylla (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Swietenia Macrophylla (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Uncaria Macrophylla (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Uvaria Macrophylla (Plant) Rel Props:Reference:

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[(2R,3aS,4R,5R,7aR)-3a,4-dimethyl-4'-methylidene-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-5-yl] (Z)-2-methylbut-2-enoate

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Phytochemical Properties

Associated Connections 53

Plant Connections 53