(3R,4aR,6aR,7S,8S,10aR,10bS,12aS)-7-(2-carboxyethyl)-3,7,10a,10b,12a-pentamethyl-8-prop-1-en-2-yl-2,4,4a,6,6a,8,9,10,11,12-decahydro-1H-chrysene-3-carboxylic acid

Systemtic Name: (3R,4aR,6aR,7S,8S,10aR,10bS,12aS)-7-(2-carboxyethyl)-3,7,10a,10b,12a-pentamethyl-8-prop-1-en-2-yl-2,4,4a,6,6a,8,9,10,11,12-decahydro-1H-chrysene-3-carboxylic acid Openeye Name: (3R,4aR,6aR,7S,8S,10aR,10bS,12aS)-7-(2-carboxyethyl)-8-isopropenyl-3,7,10a,10b,12a-pentamethyl-2,4,4a,6,6a,8,9,10,11,12-decahydro-1H-chrysene-3-carboxylic acid CAS Name: (3R,4aR,6aR,7S,8S,10aR,10bS,12aS)-7-(2-carboxyethyl)-3,7,10a,10b,12a-pentamethyl-8-(1-methylethenyl)-2,4,4a,6,6a,8,9,10,11,12-decahydro-1H-chrysene-3-carboxylic acid IUPAC Name: (3R,4aR,6aR,7S,8S,10aR,10bS,12aS)-7-(2-carboxyethyl)-3,7,10a,10b,12a-pentamethyl-8-prop-1-en-2-yl-2,4,4a,6,6a,8,9,10,11,12-decahydro-1H-chrysene-3-carboxylic acid Traditional Name: (3R,4aR,6aR,7S,8S,10aR,10bS,12aS)-7-(2-carboxyethyl)-8-isopropenyl-3,7,10a,10b,12a-pentamethyl-2,4,4a,6,6a,8,9,10,11,12-decahydro-1H-chrysene-3-carboxylic acid Formula: C30H46O4 MolecularWeight: 470.68384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CC=C3C2(CCC4(C3CC(CC4)(C)C(=O)O)C)C)C

Isomeric SMILES

CC(=C)[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC(=O)O)CC=C3[C@]2(CC[C@@]4([C@H]3C[C@](CC4)(C)C(=O)O)C)C)C

InChI

InChI=1S/C30H46O4/c1-19(2)20-10-13-30(7)23(28(20,5)12-11-24(31)32)9-8-21-22-18-27(4,25(33)34)15-14-26(22,3)16-17-29(21,30)6/h8,20,22-23H,1,9-18H2,2-7H3,(H,31,32)(H,33,34)/t20-,22-,23+,26+,27+,28-,29+,30+/m0/s1