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.

(2R,3S,4R,4aS,6aS,6aS,6bR,8aS,12aS,14aS,14bS)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicene-2,3-diol

PubChem CID: 162952535

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

ℹ️ Click here to know more about the properties
Topological Polar Surface Area 60.7
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 33.0
Isotope Atom Count 0.0
Molecular Complexity 793.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 11.0
Iupac Name (2R,3S,4R,4aS,6aS,6aS,6bR,8aS,12aS,14aS,14bS)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicene-2,3-diol
Prediction Hob 1.0
Xlogp 7.5
Molecular Formula C30H52O3
Prediction Swissadme 0.0
Inchi Key CYNMAFQVEXSZRH-CPPRKDLYSA-N
Fcsp3 1.0
Logs -5.415
Rotatable Bond Count 1.0
Logd 4.508
Compound Name (2R,3S,4R,4aS,6aS,6aS,6bR,8aS,12aS,14aS,14bS)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicene-2,3-diol
Prediction Hob Swissadme 0.0
Exact Mass 460.392
Formal Charge 0.0
Monoisotopic Mass 460.392
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 460.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 11.0
Total Bond Stereocenter Count 0.0
Esol -7.3682066000000015
Inchi InChI=1S/C30H52O3/c1-19-24(33)20(32)16-22-26(19,4)9-8-21-27(22,5)11-12-29(7)23-17-25(2,3)10-14-30(23,18-31)15-13-28(21,29)6/h19-24,31-33H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,26+,27+,28+,29-,30+/m0/s1
Smiles C[C@H]1[C@@H]([C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)CO)C)C)C)C)O)O
Nring 5.0
Defined Bond Stereocenter Count 0.0

Back to Browse   Back to Home