Molecule Identification Common Name (2S,4aS,6aR,6bS,12aS)-10,12b-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-docosahydropicene-2-carboxylic acid Definition Based on a literature review very few articles have been published on (2S,4aS,6aR,6bS,12aS)-10,12b-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-docosahydropicene-2-carboxylic acid. Structure [H]C1(O)CC[C@@]2(C)C([H])(CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CC[C@@](C)(CC5([H])C4([H])CC(=O)C23O)C(O)=O)C1(C)C InChI=1S/C30H48O5/c1-24(2)20-8-11-29(7)27(5)15-14-25(3)12-13-26(4,23(33)34)17-19(25)18(27)16-22(32)30(29,35)28(20,6)10-9-21(24)31/h18-21,31,35H,8-17H2,1-7H3,(H,33,34)/t18?,19?,20?,21?,25-,26+,27-,28+,29+,30?/m1/s1 Synonyms Value Source (2S,4AS,6ar,6BS,12as)-10,12b-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-docosahydropicene-2-carboxylate Generator
Chemical Formula C30 H48 O5 Average Molecular Weight 488.709 Monoisotopic Molecular Weight 488.350174646 IUPAC Name (2S,4aS,6aR,6bS,12aS)-10,12b-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-docosahydropicene-2-carboxylic acid Traditional Name (2S,4aS,6aR,6bS,12aS)-10,12b-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-tetradecahydropicene-2-carboxylic acid CAS Registry Number Not Available SMILES [H]C1(O)CC[C@@]2(C)C([H])(CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CC[C@@](C)(CC5([H])C4([H])CC(=O)C23O)C(O)=O)C1(C)C
InChI Identifier InChI=1S/C30H48O5/c1-24(2)20-8-11-29(7)27(5)15-14-25(3)12-13-26(4,23(33)34)17-19(25)18(27)16-22(32)30(29,35)28(20,6)10-9-21(24)31/h18-21,31,35H,8-17H2,1-7H3,(H,33,34)/t18?,19?,20?,21?,25-,26+,27-,28+,29+,30?/m1/s1
InChI Key LZQIAQKUKWQPKO-XREJNZEYSA-N 
