[(2R,3R,4aR,6aR,6bS,8aS,11S,12R,12aR,14R,14aR,14bS)-3,14-diacetyloxy-4,4,6a,6b,8a,11,12,14b-octamethyl-11-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-2-yl] ethanoate

Systemtic Name: [(2R,3R,4aR,6aR,6bS,8aS,11S,12R,12aR,14R,14aR,14bS)-3,14-diacetyloxy-4,4,6a,6b,8a,11,12,14b-octamethyl-11-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-2-yl] ethanoate Openeye Name: [(2R,3R,4aR,6aR,6bS,8aS,11S,12R,12aR,14R,14aR,14bS)-3,14-diacetoxy-11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-2-yl] acetate CAS Name: acetic acid [(2R,3R,4aR,6aR,6bS,8aS,11S,12R,12aR,14R,14aR,14bS)-3,14-diacetyloxy-11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-2-yl] ester IUPAC Name: [(2R,3R,4aR,6aR,6bS,8aS,11S,12R,12aR,14R,14aR,14bS)-3,14-diacetyloxy-11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-2-yl] acetate Traditional Name: acetic acid [(2R,3R,4aR,6aR,6bS,8aS,11S,12R,12aR,14R,14aR,14bS)-3,14-diacetoxy-11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-2-yl] ester Formula: C36H56O7 MolecularWeight: 600.82564

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C3=CC(C4C(C3(CCC2(CCC1(C)O)C)C)(CCC5C4(CC(C(C5(C)C)OC(=O)C)OC(=O)C)C)C)OC(=O)C

Isomeric SMILES

C[C@@H]1[C@H]2C3=C[C@H]([C@H]4[C@]([C@@]3(CC[C@]2(CC[C@]1(C)O)C)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)OC(=O)C)OC(=O)C)C)C)OC(=O)C

InChI

InChI=1S/C36H56O7/c1-20-28-24-18-25(41-21(2)37)29-33(8)19-26(42-22(3)38)30(43-23(4)39)31(5,6)27(33)12-13-35(29,10)34(24,9)16-14-32(28,7)15-17-36(20,11)40/h18,20,25-30,40H,12-17,19H2,1-11H3/t20-,25-,26-,27+,28+,29-,30+,32+,33+,34-,35-,36+/m1/s1