(2S,4aS,6aR,6bS,10S,12aS,14bS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid

Systemtic Name: (2S,4aS,6aR,6bS,10S,12aS,14bS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid Openeye Name: (2S,4aS,6aR,6bS,10S,12aS,14bS)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid CAS Name: (2S,4aS,6aR,6bS,10S,12aS,14bS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid IUPAC Name: (2S,4aS,6aR,6bS,10S,12aS,14bS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid Traditional Name: (2S,4aS,6aR,6bS,10S,12aS,14bS)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid Formula: C32H50O4 MolecularWeight: 498.737

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2=CCC4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2=CCC4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C

InChI

InChI=1S/C32H50O4/c1-20(33)36-25-12-13-30(6)23(27(25,2)3)11-14-32(8)24(30)10-9-21-22-19-29(5,26(34)35)16-15-28(22,4)17-18-31(21,32)7/h10,21-23,25H,9,11-19H2,1-8H3,(H,34,35)/t21?,22-,23?,25-,28+,29-,30-,31+,32+/m0/s1