(1S,4S,5R,8R,10S,13R,14R,17S,18R)-10-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one
PubChem CID: 21594247
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL463067 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | HESDPPFWDULRQU-LZRJWOMQSA-N |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 33.0 |
| Compound Name | (1S,4S,5R,8R,10S,13R,14R,17S,18R)-10-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one |
| Exact Mass | 456.36 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 456.36 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 891.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 456.7 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (1S,4S,5R,8R,10S,13R,14R,17S,18R)-10-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one |
| Total Atom Stereocenter Count | 9.0 |
| Nih Violation | False |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C30H48O3/c1-24(2)14-16-29-17-15-28(7)27(6)12-8-19-25(3,4)22(31)10-11-26(19,5)20(27)9-13-30(28,21(29)18-24)33-23(29)32/h19-22,31H,8-18H2,1-7H3/t19-,20+,21+,22-,26-,27+,28-,29-,30-/m0/s1 |
| Smiles | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC[C@@]45[C@]3(CC[C@@]6([C@H]4CC(CC6)(C)C)C(=O)O5)C)C)(C)C)O |
| Xlogp | 7.4 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C30H48O3 |
- 1. Outgoing r'ship
FOUND_INto/from Amomum Subulatum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Astragalus Tragacantha (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Fleroya Stipulosa (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Heliotropium Amplexicaule (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Heliotropium Angiospermum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Heliotropium Arborescens (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Heliotropium Arguzioides (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Heliotropium Bacciferum (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Heliotropium Bovei (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Heliotropium Crispum (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Heliotropium Curassavicum (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Heliotropium Digynum (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Heliotropium Eichwaldii (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Heliotropium Ellipticum (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Heliotropium Europaeum (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Heliotropium Floridum (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Heliotropium Glutinosum (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Heliotropium Hirsutissimum (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Heliotropium Hirsutum (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Heliotropium Indicum (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Heliotropium Keralense (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Heliotropium Lasiocarpum (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Heliotropium Marifolium (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Heliotropium Olgae (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Heliotropium Ovalifolium (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Heliotropium Ramosissimum (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Heliotropium Rotundifolium (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Heliotropium Scabrum (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Heliotropium Steudneri (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Heliotropium Strigosum (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Heliotropium Subulatum (Plant) Rel Props:Source_db:npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Heliotropium Supinum (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Heliotropium Tuberculosum (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Heliotropium Zeylanicum (Plant) Rel Props:Reference: