3-[13-(hydroxymethyl)-4,9,10-trimethyl-3-(2-oxidanylpropan-2-yl)-15-prop-1-en-2-yl-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid

Systemtic Name: 3-[13-(hydroxymethyl)-4,9,10-trimethyl-3-(2-oxidanylpropan-2-yl)-15-prop-1-en-2-yl-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid Openeye Name: 3-[13-(hydroxymethyl)-3-(1-hydroxy-1-methyl-ethyl)-15-isopropenyl-4,9,10-trimethyl-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid CAS Name: 3-[13-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)-4,9,10-trimethyl-15-(1-methylethenyl)-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid IUPAC Name: 3-[13-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)-4,9,10-trimethyl-15-prop-1-en-2-yl-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid Traditional Name: 3-[3-(1-hydroxy-1-methyl-ethyl)-15-isopropenyl-4,9,10-trimethyl-13-methylol-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propionic acid Formula: C30H50O4 MolecularWeight: 474.7156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC(C4(C)CCC(=O)O)C(C)(C)O)C)CO

Isomeric SMILES

CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC(C4(C)CCC(=O)O)C(C)(C)O)C)CO

InChI

InChI=1S/C30H50O4/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5,13-12-24(32)33)22(26(3,4)34)11-14-29(23,28)7/h20-23,25,31,34H,1,8-18H2,2-7H3,(H,32,33)