(2S,4aR,4bR,8R,8aR,10aR)-2-ethenyl-8-(hydroxymethyl)-2,4b,8-trimethyl-1,3,4,5,6,7,8a,9,10,10a-decahydrophenanthren-4a-ol
PubChem CID: 102061527
Connections displayed (default: 10).
Loading graph...
| Prediction Swissadme | 1.0 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | JGNUPOAWXFVDFX-XRNRSJMDSA-N |
| Fcsp3 | 0.9 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Compound Name | (2S,4aR,4bR,8R,8aR,10aR)-2-ethenyl-8-(hydroxymethyl)-2,4b,8-trimethyl-1,3,4,5,6,7,8a,9,10,10a-decahydrophenanthren-4a-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 306.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.256 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 461.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 306.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (2S,4aR,4bR,8R,8aR,10aR)-2-ethenyl-8-(hydroxymethyl)-2,4b,8-trimethyl-1,3,4,5,6,7,8a,9,10,10a-decahydrophenanthren-4a-ol |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.474738 |
| Inchi | InChI=1S/C20H34O2/c1-5-17(2)11-12-20(22)15(13-17)7-8-16-18(3,14-21)9-6-10-19(16,20)4/h5,15-16,21-22H,1,6-14H2,2-4H3/t15-,16-,17+,18+,19-,20-/m1/s1 |
| Smiles | C[C@@]1(CC[C@]2([C@@H](C1)CC[C@H]3[C@]2(CCC[C@@]3(C)CO)C)O)C=C |
| Xlogp | 4.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H34O2 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Maculata (Plant) Rel Props:Source_db:cmaup_ingredients