(1S,3R,6S,11S,16R)-15-(6,7-dimethyloct-7-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
PubChem CID: 5320202
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 756.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,3R,6S,11S,16R)-15-(6,7-dimethyloct-7-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 10.6 |
| Molecular Formula | C31H52O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OSKBBWPZDJRQMS-TXEQYBBNSA-N |
| Fcsp3 | 0.935483870967742 |
| Logs | -6.984 |
| Rotatable Bond Count | 6.0 |
| Logd | 5.411 |
| Compound Name | (1S,3R,6S,11S,16R)-15-(6,7-dimethyloct-7-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 440.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.402 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 440.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.8294872 |
| Inchi | InChI=1S/C31H52O/c1-20(2)21(3)9-8-10-22(4)24-13-15-29(7)27-12-11-25-23(5)26(32)14-16-30(25)19-31(27,30)18-17-28(24,29)6/h21-27,32H,1,8-19H2,2-7H3/t21?,22?,23?,24?,25?,26-,27-,28+,29?,30+,31-/m0/s1 |
| Smiles | CC1[C@H](CC[C@@]23C1CC[C@@H]4[C@@]2(C3)CC[C@]5(C4(CCC5C(C)CCCC(C)C(=C)C)C)C)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients