3beta-12,21-Baccharadien-3-ol
PubChem CID: 131752934
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| Compound Synonyms | 3beta-12,21-Baccharadien-3-ol, CHEBI:175469, 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpent-3-enyl)-3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysen-2-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | PLCSXUZKJJNYDO-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Compound Name | 3beta-12,21-Baccharadien-3-ol |
| Description | Constituent of Glycine max (soybean). 3beta-12,21-Baccharadien-3-ol is found in soy bean and pulses. |
| Exact Mass | 426.386 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.386 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 769.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 426.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpent-3-enyl)-3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysen-2-ol |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C30H50O/c1-21(2)10-9-15-27(5)18-19-29(7)22(20-27)11-12-24-28(6)16-14-25(31)26(3,4)23(28)13-17-30(24,29)8/h10-11,23-25,31H,9,12-20H2,1-8H3 |
| Smiles | CC(=CCCC1(CCC2(C(=CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C1)C)C)C |
| Xlogp | 9.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C30H50O |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all