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.

[(3S,4aR,6aR,6aR,6bR,8aS,11R,12R,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate

PubChem CID: 101553159

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

ℹ️ Click here to know more about the properties
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 34.0
Isotope Atom Count 0.0
Molecular Complexity 872.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 11.0
Iupac Name [(3S,4aR,6aR,6aR,6bR,8aS,11R,12R,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate
Prediction Hob 1.0
Xlogp 10.0
Molecular Formula C32H52O2
Prediction Swissadme 0.0
Inchi Key RIDJSNUZLSTKKB-DWTGHIQGSA-N
Fcsp3 0.90625
Logs -7.167
Rotatable Bond Count 2.0
Logd 6.354
Compound Name [(3S,4aR,6aR,6aR,6bR,8aS,11R,12R,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate
Prediction Hob Swissadme 0.0
Exact Mass 468.397
Formal Charge 0.0
Monoisotopic Mass 468.397
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 468.8
Covalent Unit Count 1.0
Total Atom Stereocenter Count 11.0
Total Bond Stereocenter Count 0.0
Esol -8.9332492
Inchi InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h12,15,20-21,23-27H,10-11,13-14,16-19H2,1-9H3/t20-,21-,23-,24+,25-,26+,27-,29-,30+,31-,32-/m1/s1
Smiles C[C@@H]1C=C[C@@]2(CC[C@@]3([C@@H]([C@H]2[C@@H]1C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)C)C
Nring 5.0
Defined Bond Stereocenter Count 0.0

Back to Browse   Back to Home