[(3S,4S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4-ethenyl-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate

Systemtic Name: [(3S,4S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4-ethenyl-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate Openeye Name: [(3S,4S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,6a,6b,8a,11,12,14b-heptamethyl-4-vinyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate CAS Name: acetic acid [(3S,4S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4-ethenyl-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester IUPAC Name: [(3S,4S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4-ethenyl-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate Traditional Name: acetic acid [(3S,4S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,6a,6b,8a,11,12,14b-heptamethyl-4-vinyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester Formula: C33H52O2 MolecularWeight: 480.76478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C=C)OC(=O)C)C)C)C2C1C)C)C

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)C=C)OC(=O)C)C)C)[C@H]2[C@H]1C)C)C

InChI

InChI=1S/C33H52O2/c1-10-30(6)25-14-18-33(9)26(31(25,7)17-15-27(30)35-23(4)34)12-11-24-28-22(3)21(2)13-16-29(28,5)19-20-32(24,33)8/h10-11,21-22,25-28H,1,12-20H2,2-9H3/t21-,22+,25+,26-,27+,28-,29-,30+,31+,32-,33-/m1/s1