(1S,2S,4aR,4bS,7S,8aS,10aS)-7-ethenyl-4b,7,10a-trimethylspiro[2,3,4,4a,5,6,8,8a,9,10-decahydrophenanthrene-1,2'-oxirane]-2-ol
PubChem CID: 11565732
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| Topological Polar Surface Area | 32.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1S,2S,4aR,4bS,7S,8aS,10aS)-7-ethenyl-4b,7,10a-trimethylspiro[2,3,4,4a,5,6,8,8a,9,10-decahydrophenanthrene-1,2'-oxirane]-2-ol |
| Prediction Hob | 0.0 |
| Xlogp | 4.9 |
| Molecular Formula | C20H32O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DNWOEBSKFPAKBW-DTMQFJJTSA-N |
| Fcsp3 | 0.9 |
| Logs | -2.492 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.352 |
| Compound Name | (1S,2S,4aR,4bS,7S,8aS,10aS)-7-ethenyl-4b,7,10a-trimethylspiro[2,3,4,4a,5,6,8,8a,9,10-decahydrophenanthrene-1,2'-oxirane]-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 304.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7739388 |
| Inchi | InChI=1S/C20H32O2/c1-5-17(2)10-11-18(3)14(12-17)8-9-19(4)15(18)6-7-16(21)20(19)13-22-20/h5,14-16,21H,1,6-13H2,2-4H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1 |
| Smiles | C[C@@]1(CC[C@]2([C@H](C1)CC[C@]3([C@@H]2CC[C@@H]([C@@]34CO4)O)C)C)C=C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ceriops Tagal (Plant) Rel Props:Source_db:cmaup_ingredients