(2R,10aR)-2-(3,4-dimethylpent-4-enyl)-2,4a,7,7,10a-pentamethyl-1,3,4,4b,5,6,6a,8,9,10,10b,11-dodecahydrochrysene
PubChem CID: 5319514
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 710.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,10aR)-2-(3,4-dimethylpent-4-enyl)-2,4a,7,7,10a-pentamethyl-1,3,4,4b,5,6,6a,8,9,10,10b,11-dodecahydrochrysene |
| Prediction Hob | 1.0 |
| Xlogp | 11.0 |
| Molecular Formula | C30H50 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RCKVQCIIGWDRSO-FNJQBFQGSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -7.478 |
| Rotatable Bond Count | 4.0 |
| Logd | 6.204 |
| Compound Name | (2R,10aR)-2-(3,4-dimethylpent-4-enyl)-2,4a,7,7,10a-pentamethyl-1,3,4,4b,5,6,6a,8,9,10,10b,11-dodecahydrochrysene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.391 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.391 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 410.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.084026000000003 |
| Inchi | InChI=1S/C30H50/c1-21(2)22(3)14-17-28(6)18-19-29(7)23(20-28)10-11-25-24(29)12-13-26-27(4,5)15-9-16-30(25,26)8/h10,22,24-26H,1,9,11-20H2,2-8H3/t22?,24?,25?,26?,28-,29?,30-/m1/s1 |
| Smiles | CC(CC[C@@]1(CCC2(C3CCC4[C@@](C3CC=C2C1)(CCCC4(C)C)C)C)C)C(=C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cycas Revoluta (Plant) Rel Props:Source_db:cmaup_ingredients