(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid

Systemtic Name: (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid Openeye Name: (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,14bS)-10-acetoxy-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid CAS Name: (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid IUPAC Name: (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid Traditional Name: (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,14bS)-10-acetoxy-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid Formula: C31H48O4 MolecularWeight: 484.71042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CC[C@@]2(CCC3=C([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(=O)O

InChI

InChI=1S/C31H48O4/c1-18-10-16-31(27(33)34)17-11-22-21(26(31)19(18)2)8-9-24-29(22,6)14-12-23-28(4,5)25(35-20(3)32)13-15-30(23,24)7/h18-19,23-26H,8-17H2,1-7H3,(H,33,34)/t18-,19+,23+,24+,25+,26+,29+,30+,31+/m1/s1