(4bS,5R,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,5-diol
PubChem CID: 10956305
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4bS,5R,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C17H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MEMJJLCEZJUTHW-ZMSDIMECSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -4.296 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.35 |
| Compound Name | (4bS,5R,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,5-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 260.399 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.245821610526315 |
| Inchi | InChI=1S/C17H24O2/c1-16(2)9-8-15(19)17(3)13-6-5-12(18)10-11(13)4-7-14(16)17/h5-6,10,14-15,18-19H,4,7-9H2,1-3H3/t14-,15+,17+/m0/s1 |
| Smiles | C[C@]12[C@@H](CCC3=C1C=CC(=C3)O)C(CC[C@H]2O)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taiwania Cryptomerioides (Plant) Rel Props:Source_db:cmaup_ingredients