Molecule Identification Common Name (2S,4aS,6aR,6bR,12aS)-10,14-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,6bR,12aS)-10,14-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)C2([H])C(=O)C([H])(O)C2([H])C4([H])C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C InChI=1S/C30H48O5/c1-25(2)18-8-11-30(7)23(28(18,5)10-9-19(25)31)22(33)21(32)20-17-16-27(4,24(34)35)13-12-26(17,3)14-15-29(20,30)6/h17-21,23,31-32H,8-16H2,1-7H3,(H,34,35)/t17?,18?,19?,20?,21?,23?,26-,27+,28+,29-,30-/m1/s1 Synonyms Value Source (2S,4AS,6ar,6BR,12as)-10,14-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,6bR,12aS)-10,14-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-docosahydropicene-2-carboxylic acid Traditional Name (2S,4aS,6aR,6bR,12aS)-10,14-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-tetradecahydro-1H-picene-2-carboxylic acid CAS Registry Number Not Available SMILES [H]C1(O)CC[C@@]2(C)C([H])(CC[C@]3(C)C2([H])C(=O)C([H])(O)C2([H])C4([H])C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
InChI Identifier InChI=1S/C30H48O5/c1-25(2)18-8-11-30(7)23(28(18,5)10-9-19(25)31)22(33)21(32)20-17-16-27(4,24(34)35)13-12-26(17,3)14-15-29(20,30)6/h17-21,23,31-32H,8-16H2,1-7H3,(H,34,35)/t17?,18?,19?,20?,21?,23?,26-,27+,28+,29-,30-/m1/s1
InChI Key QPCRSSOQVZWJEY-GTZXLQBYSA-N 
