(1R,3aR,5aS,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-5a-(hydroxymethyl)-9-methoxycarbonyl-3a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid

Systemtic Name: (1R,3aR,5aS,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-5a-(hydroxymethyl)-9-methoxycarbonyl-3a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid Openeye Name: (1R,3aR,5aS,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-5a-(hydroxymethyl)-1-isopropenyl-9-methoxycarbonyl-3a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid CAS Name: (1R,3aR,5aS,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-5a-(hydroxymethyl)-9-methoxycarbonyl-3a,5b,8,11a-tetramethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid IUPAC Name: (1R,3aR,5aS,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-5a-(hydroxymethyl)-9-methoxycarbonyl-3a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid Traditional Name: (1R,3aR,5aS,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-9-carbomethoxy-1-isopropenyl-3a,5b,8,11a-tetramethyl-5a-methylol-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid Formula: C32H50O5 MolecularWeight: 514.7364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)CO)C)(C)C(=O)O)C(=O)OC)C)C

Isomeric SMILES

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@H]([C@]([C@@H]5CC[C@]4([C@@]3(CC2)CO)C)(C)C(=O)O)C(=O)OC)C)C

InChI

InChI=1S/C32H50O5/c1-19(2)20-10-13-28(3)16-17-32(18-33)21(25(20)28)8-9-23-29(4)14-11-22(26(34)37-7)31(6,27(35)36)24(29)12-15-30(23,32)5/h20-25,33H,1,8-18H2,2-7H3,(H,35,36)/t20-,21+,22-,23+,24+,25+,28+,29+,30+,31-,32-/m0/s1