Molecular Formula: C31H51NO3
Molecular weight: 485.74154
InChi: InChI=1S/C31H51NO3/c1-20(2)22-11-15-31(27(34)35-7)17-16-29(5)24(26(22)31)9-10-25-28(4,13-8-18-32)23(21(3)19-33)12-14-30(25,29)6/h20-26,33H,8-17,19H2,1-7H3/t21?,22-,23-,24+,25+,26+,28-,29+,30+,31-/m0/s1
InChi Key: SEPABJPIHNJNGU-JNQDBGKDSA-N
SMILES: [C@@]12([C@]3([C@@H]([C@]([C@@H](CC3)C(CO)C)(CCC#N)C)CC[C@@H]1[C@@H]1[C@](CC2)(C(=O)OC)CC[C@H]1C(C)C)C)C
Chemical Name
28-methyl ester, 3-nitrile of (4R)-23-hydroxy-3,4-secolupane-3,28-dioic acid
28-methyl ester, 3-nitrile of (4R)-23-hydroxy-3,4-secolupane-3,28-dioic acid
Authors of compound