Catalog Number:
AG002G89
Chemical Name:
Pregn-4-ene-7,21-dicarboxylic acid, 11,17-dihydroxy-3-oxo-, γ-lactone, methyl ester, (7α,11α,17α)-
CAS Number:
192704-56-6
Molecular Formula:
C24H32O6
Molecular Weight:
416.5073
MDL Number:
MFCD18252911
IUPAC Name:
methyl (7R,8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
InChI:
InChI=1S/C24H32O6/c1-22-7-4-14(25)10-13(22)11-15(21(28)29-3)19-16-5-8-24(9-6-18(27)30-24)23(16,2)12-17(26)20(19)22/h10,15-17,19-20,26H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,20+,22+,23+,24-/m1/s1
InChI Key:
ZYDNRZOTRVTMRC-IIYDDONESA-N
SMILES:
COC(=O)[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@]3([C@]1(C[C@H]2O)C)CCC(=O)O3)C
EC Number:
606-281-1
