(1S,4S,5S,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-5-ol
PubChem CID: 71528822
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 455.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1S,4S,5S,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C19H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YTFRXRQSUHJCSH-BPCAWRKVSA-N |
| Fcsp3 | 0.8947368421052632 |
| Logs | -3.711 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.746 |
| Compound Name | (1S,4S,5S,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-5-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 274.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5214776 |
| Inchi | InChI=1S/C19H30O/c1-13-11-19-10-7-15-17(2,8-4-9-18(15,3)20)16(19)6-5-14(13)12-19/h14-16,20H,1,4-12H2,2-3H3/t14-,15+,16+,17-,18+,19-/m1/s1 |
| Smiles | C[C@@]12CCC[C@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)(C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Laurentii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Diploclisia Glaucescens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Euphorbia Helioscopia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Maytenus Buchananii (Plant) Rel Props:Source_db:cmaup_ingredients