Podocarpan-12beta-ol
PubChem CID: 579816
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| Compound Synonyms | Podocarpan-12.beta.-ol, Podocarpan-12-ol #, GPSABRWJHKRHDY-UHFFFAOYSA-N, 3-Phenanthrenol, tetradecahydro-4b,8,8-trimethyl-, [3S-(3.alpha.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4b,8,8-trimethyl-1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthren-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C17H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | GPSABRWJHKRHDY-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.543 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.331 |
| Compound Name | Podocarpan-12beta-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 250.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.744241199999999 |
| Inchi | InChI=1S/C17H30O/c1-16(2)9-4-10-17(3)14-11-13(18)7-5-12(14)6-8-15(16)17/h12-15,18H,4-11H2,1-3H3 |
| Smiles | CC1(CCCC2(C1CCC3C2CC(CC3)O)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients