(1R,3E,7E,11S,12S,14S)-14-Acetoxy-3,7,18-Dolabellatriene

PubChem CID: 51040051

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Compound Synonyms	(1R,3E,7E,11S,12S,14S)-14-Acetoxy-3,7,18-dolabellatriene, ((1S,3S,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta(11)annulen-3-yl) acetate, [(1S,3S,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-3-yl] acetate, Q27138290
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	24.0
Isotope Atom Count	0.0
Molecular Complexity	554.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	[(1S,3S,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-3-yl] acetate
Prediction Hob	0.0
Xlogp	5.6
Molecular Formula	C22H34O2
Prediction Swissadme	0.0
Inchi Key	AJUISUYGDAPGKA-KMXMIPMLSA-N
Fcsp3	0.6818181818181818
Logs	-5.868
Rotatable Bond Count	3.0
Logd	4.698
Compound Name	(1R,3E,7E,11S,12S,14S)-14-Acetoxy-3,7,18-Dolabellatriene
Prediction Hob Swissadme	0.0
Exact Mass	330.256
Formal Charge	0.0
Monoisotopic Mass	330.256
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	330.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	2.0
Esol	-5.2506744
Inchi	InChI=1S/C22H34O2/c1-15(2)19-14-21(24-18(5)23)22(6)13-12-17(4)9-7-8-16(3)10-11-20(19)22/h8,12,19-21H,1,7,9-11,13-14H2,2-6H3/b16-8+,17-12+/t19-,20+,21+,22-/m1/s1
Smiles	C/C/1=C\CC/C(=C/C[C@@]2([C@@H](CC1)[C@H](C[C@@H]2OC(=O)C)C(=C)C)C)/C
Nring	2.0
Defined Bond Stereocenter Count	2.0

1. Outgoing r'ship FOUND_IN to/from Blyttia Spiralis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Cryptocoryne Spiralis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Dendrobium Amoenum (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Dendrobium Amplum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Dendrobium Aphyllum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Dendrobium Ariaeflorum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Dendrobium Aurantiacum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Dendrobium Candidum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Dendrobium Capillipes (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Dendrobium Chrysanthum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Dendrobium Chrysotoxum (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Dendrobium Crepidatum (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Dendrobium Cumulatum (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Dendrobium Densiflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
15. Outgoing r'ship FOUND_IN to/from Dendrobium Devosianum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Dendrobium Fimbriatum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Dendrobium Loddigesii (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Dendrobium Macraei (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Dendrobium Macrostachyum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Dendrobium Moniliforme (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Dendrobium Moschatum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Dendrobium Nobile (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Dendrobium Polyanthum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Dendrobium Rotundatum (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Dendrobium Secundum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Dendrobium Thyrsiflorum (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Geodorum Densiflorum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Polygonatum Cirrhifolium (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Polygonatum Cyrtonema (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Polygonatum Falcatum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Polygonatum Kingianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
32. Outgoing r'ship FOUND_IN to/from Polygonatum Multiflorum (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Polygonatum Odoratum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Polygonatum Polyanthemum (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Polygonatum Prattii (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Polygonatum Sibiricum (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Polygonatum Stenophyllum (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Polygonatum Verticillatum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Polygonatum Zanlanscianense (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Vallisneria Spiralis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Zamia Spiralis (Plant) Rel Props:Reference:

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(1R,3E,7E,11S,12S,14S)-14-Acetoxy-3,7,18-Dolabellatriene

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Phytochemical Properties

Associated Connections 41

Plant Connections 41