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.

24-Methylenecholest-4-ene-3beta,6beta-diol

PubChem CID: 11486817

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

Compound Synonyms 24-methylenecholest-4-ene-3beta,6beta-diol, CHEMBL479912
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 30.0
Isotope Atom Count 0.0
Molecular Complexity 693.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 9.0
Iupac Name (3S,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
Prediction Hob 0.0
Xlogp 7.4
Molecular Formula C28H46O2
Prediction Swissadme 0.0
Inchi Key HTLJJZSYTBKDHR-JOCBKWKSSA-N
Fcsp3 0.8571428571428571
Logs -2.29
Rotatable Bond Count 5.0
Logd 2.169
Compound Name 24-Methylenecholest-4-ene-3beta,6beta-diol
Prediction Hob Swissadme 0.0
Exact Mass 414.35
Formal Charge 0.0
Monoisotopic Mass 414.35
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 414.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 9.0
Total Bond Stereocenter Count 0.0
Esol -6.724078800000001
Inchi InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h15,17,19-24,26,29-30H,3,7-14,16H2,1-2,4-6H3/t19-,20+,21+,22-,23+,24+,26-,27-,28-/m1/s1
Smiles C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=C[C@H](CC[C@]34C)O)O)C
Nring 1.0
Defined Bond Stereocenter Count 0.0