Catalog Number:
AG009CCY
Chemical Name:
Mc1046
CAS Number:
126860-83-1
Molecular Formula:
C27H38O3
Molecular Weight:
410.5888
MDL Number:
MFCD00872035
IUPAC Name:
(E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-one
InChI:
InChI=1S/C27H38O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-24,26,28,30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,26+,27-/m1/s1
InChI Key:
KKDBQSPKXAUHPH-NRCQPIEOSA-N
SMILES:
O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3(C2CC[C@@H]3[C@@H](/C=C/C(=O)C2CC2)C)C)/C1
UNII:
G70BS4HF9Z
