(1S,2R,4aS,6aS,6bR,10R,11R,12aS)-10,11-diacetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid

Systemtic Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aS)-10,11-diacetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid Openeye Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aS)-10,11-diacetoxy-1,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid CAS Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aS)-10,11-diacetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid IUPAC Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aS)-10,11-diacetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid Traditional Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aS)-10,11-diacetoxy-13-keto-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid Formula: C34H50O7 MolecularWeight: 570.7566

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CC(C(C5(C)C)OC(=O)C)OC(=O)C)C)C)C2C1C)C)C(=O)O

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)C4[C@]3(CCC5[C@@]4(C[C@H]([C@@H](C5(C)C)OC(=O)C)OC(=O)C)C)C)C2[C@H]1C)C)C(=O)O

InChI

InChI=1S/C34H50O7/c1-18-10-13-34(29(38)39)15-14-32(8)22(26(34)19(18)2)16-23(37)27-31(7)17-24(40-20(3)35)28(41-21(4)36)30(5,6)25(31)11-12-33(27,32)9/h16,18-19,24-28H,10-15,17H2,1-9H3,(H,38,39)/t18-,19+,24-,25?,26?,27?,28+,31+,32-,33-,34+/m1/s1