This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

(2S,4aR,4bR,6aS,8R,10aS,12aR)-1,1,4a,6a,8,10a-hexamethyl-8-(4-methylpent-3-enyl)-3,4,4b,5,6,7,9,10,12,12a-decahydro-2H-chrysen-2-ol

PubChem CID: 10550385

Connections displayed (default: 10).
Loading graph...

Compound Synonyms CHEMBL464990
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 31.0
Isotope Atom Count 0.0
Molecular Complexity 769.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 7.0
Iupac Name (2S,4aR,4bR,6aS,8R,10aS,12aR)-1,1,4a,6a,8,10a-hexamethyl-8-(4-methylpent-3-enyl)-3,4,4b,5,6,7,9,10,12,12a-decahydro-2H-chrysen-2-ol
Prediction Hob 1.0
Xlogp 9.4
Molecular Formula C30H50O
Prediction Swissadme 0.0
Inchi Key LEGDEEHTHQAKNP-QRZRKQLPSA-N
Fcsp3 0.8666666666666667
Logs -6.811
Rotatable Bond Count 3.0
Logd 5.742
Compound Name (2S,4aR,4bR,6aS,8R,10aS,12aR)-1,1,4a,6a,8,10a-hexamethyl-8-(4-methylpent-3-enyl)-3,4,4b,5,6,7,9,10,12,12a-decahydro-2H-chrysen-2-ol
Prediction Hob Swissadme 0.0
Exact Mass 426.386
Formal Charge 0.0
Monoisotopic Mass 426.386
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 426.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 7.0
Total Bond Stereocenter Count 0.0
Esol -8.1782198
Inchi InChI=1S/C30H50O/c1-21(2)10-9-15-27(5)18-19-30(8)23-11-12-24-26(3,4)25(31)14-17-29(24,7)22(23)13-16-28(30,6)20-27/h10-11,22,24-25,31H,9,12-20H2,1-8H3/t22-,24-,25-,27+,28-,29+,30+/m0/s1
Smiles CC(=CCC[C@@]1(CC[C@@]2(C3=CC[C@@H]4[C@@]([C@H]3CC[C@]2(C1)C)(CC[C@@H](C4(C)C)O)C)C)C)C
Nring 4.0
Defined Bond Stereocenter Count 0.0