Catalog Number:
AG002G39
Chemical Name:
Pregna-4,6-diene-21-carboxylic acid, 11,17-dihydroxy-3-oxo-, γ-lactone, (11α,17α)-
CAS Number:
192569-17-8
Molecular Formula:
C22H28O4
Molecular Weight:
356.4553
MDL Number:
MFCD30347420
IUPAC Name:
(8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
InChI:
InChI=1S/C22H28O4/c1-20-8-5-14(23)11-13(20)3-4-15-16-6-9-22(10-7-18(25)26-22)21(16,2)12-17(24)19(15)20/h3-4,11,15-17,19,24H,5-10,12H2,1-2H3/t15-,16-,17+,19+,20-,21-,22+/m0/s1
InChI Key:
RJTDWMKVQUPGSY-NYTLBARGSA-N
SMILES:
O=C1CC[C@]2(C(=C1)C=C[C@@H]1[C@@H]2[C@H](O)C[C@]2([C@H]1CC[C@]12CCC(=O)O1)C)C
EC Number:
606-276-4
