(4aR,4bS,7S,8aS,10aS)-7-ethenyl-4b,7,10a-trimethyl-1-methylidene-4,4a,5,6,8,8a,9,10-octahydro-3H-phenanthren-2-one
PubChem CID: 11550979
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 504.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (4aR,4bS,7S,8aS,10aS)-7-ethenyl-4b,7,10a-trimethyl-1-methylidene-4,4a,5,6,8,8a,9,10-octahydro-3H-phenanthren-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C20H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VUBBVVYLKRSKAR-XCZFOBESSA-N |
| Fcsp3 | 0.75 |
| Logs | -4.903 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.957 |
| Compound Name | (4aR,4bS,7S,8aS,10aS)-7-ethenyl-4b,7,10a-trimethyl-1-methylidene-4,4a,5,6,8,8a,9,10-octahydro-3H-phenanthren-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 286.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.4371458 |
| Inchi | InChI=1S/C20H30O/c1-6-18(3)11-12-20(5)15(13-18)9-10-19(4)14(2)16(21)7-8-17(19)20/h6,15,17H,1-2,7-13H2,3-5H3/t15-,17-,18-,19+,20-/m0/s1 |
| Smiles | C[C@@]1(CC[C@]2([C@H](C1)CC[C@]3([C@@H]2CCC(=O)C3=C)C)C)C=C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ceriops Tagal (Plant) Rel Props:Source_db:cmaup_ingredients