(4bS,8aS,10S)-10-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
PubChem CID: 66555987
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 643.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4bS,8aS,10S)-10-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol |
| Prediction Hob | 0.0 |
| Xlogp | 8.2 |
| Molecular Formula | C30H42O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RLSVGFPVFKWRKH-YHGBQTNRSA-N |
| Fcsp3 | 0.6 |
| Logs | -5.055 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.73 |
| Compound Name | (4bS,8aS,10S)-10-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 434.318 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 434.318 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 434.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.695516800000001 |
| Inchi | InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1 |
| Smiles | CC(C)C1=C(C=C2C(=C1)[C@@H](C[C@@H]3[C@@]2(CCCC3(C)C)C)CC4=CC=C(C=C4)C(C)(C)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glaucium Oxylobum (Plant) Rel Props:Source_db:cmaup_ingredients