Catalog Number:
AG00GB7P
Chemical Name:
Amebucort
CAS Number:
83625-35-8
Molecular Formula:
C28H40O7
Molecular Weight:
488.6130
MDL Number:
MFCD00868781
IUPAC Name:
[(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
InChI:
InChI=1S/C28H40O7/c1-6-7-24(33)35-28(23(32)15-34-17(3)29)11-9-20-19-12-16(2)21-13-18(30)8-10-26(21,4)25(19)22(31)14-27(20,28)5/h13,16,19-20,22,25,31H,6-12,14-15H2,1-5H3/t16-,19-,20-,22-,25+,26-,27-,28-/m0/s1
InChI Key:
QRRVOCXLQYLNEC-PPJDWOAVSA-N
SMILES:
CCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C[C@@H](C2=CC(=O)CC[C@]12C)C)C(=O)COC(=O)C
UNII:
7YRF8G0G0F
