Gorgost-5-en-3-ol
PubChem CID: 100068
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| Compound Synonyms | Gorgost-5-en-3-ol, Gorgosterol, 29782-65-8, DTXSID30952220, Gorgost-5-en-3-ol, (3.beta.)-, 10,13-dimethyl-17-[1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, Gorgost-5-en-3-ol #, Gorgost-5-en-3-ol, (3beta)-, 10,13-dimethyl-17-(1-(2-methyl-2-(3-methylbutan-2-yl)cyclopropyl)ethyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-ol, NSC 329489, (3beta)-Gorgost-5-en-3-ol, YRPMZHRSQIFCLR-UHFFFAOYSA-N, DTXCID501380319, NSC329489, NSC-329489, Pregn-5-en-3.beta.-ol,2R)-2-(1R)-1,2-dimethylpropyl)-2-methylcyclopropyl]-, Pregn-5-en-3beta-ol, 20alpha-(((1R,2R)-2-(1R)-1,2-dimethylpropyl)-2-methylcyclopropyl)- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 737.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10,13-dimethyl-17-[1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 8.9 |
| Molecular Formula | C30H50O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YRPMZHRSQIFCLR-UHFFFAOYSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -5.508 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.579 |
| Compound Name | Gorgost-5-en-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 426.386 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.386 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 426.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.853919800000003 |
| Inchi | InChI=1S/C30H50O/c1-18(2)20(4)30(7)17-27(30)19(3)24-10-11-25-23-9-8-21-16-22(31)12-14-28(21,5)26(23)13-15-29(24,25)6/h8,18-20,22-27,31H,9-17H2,1-7H3 |
| Smiles | CC(C)C(C)C1(CC1C(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Melia Azedarach (Plant) Rel Props:Source_db:cmaup_ingredients