Catalog Number:
AG00GU2E
Chemical Name:
Cddo-ea
CAS Number:
932730-51-3
Molecular Formula:
C33H46N2O3
Molecular Weight:
518.7299
MDL Number:
MFCD11983136
IUPAC Name:
(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-N-ethyl-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide
InChI:
InChI=1S/C33H46N2O3/c1-9-35-27(38)33-14-12-28(2,3)18-21(33)25-22(36)16-24-30(6)17-20(19-34)26(37)29(4,5)23(30)10-11-31(24,7)32(25,8)13-15-33/h16-17,21,23,25H,9-15,18H2,1-8H3,(H,35,38)/t21-,23-,25-,30-,31+,32+,33-/m0/s1
InChI Key:
RZRQJICXYQPEQJ-YKEYHJQHSA-N
SMILES:
CCNC(=O)C12CCC3(C(C2CC(CC1)(C)C)C(=O)C=C1C3(C)CCC2C1(C)C=C(C(=O)C2(C)C)C#N)C
