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(2'R,8S,10R,13S,14S)-10,13-Dimethyl-1,8,10,12,13,14,15,16-octahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione

Catalog Number ACM95716715-1
CAS 95716-71-5
Structure (2'R,8S,10R,13S,14S)-10,13-Dimethyl-1,8,10,12,13,14,15,16-octahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione
Synonyms 17-Hydroxy-3-oxopregn-4,6,9-triene-21-carboxylic acid gamma-lactone
IUPAC Name (8S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Molecular Weight 338.44
Molecular Formula C22H26O3
InChI MCNZISFQKMPWRJ-DOYHNPMNSA-N
InChI Key InChI=1S/C22H26O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,6,13,16,18H,5,7-12H2,1-2H3/t16-,18+,20+,21+,22-/m1/s1
Boiling Point 560.7±50.0 °C(Predicted)
Purity 97%
Density 1.21±0.1 g/cm3(Predicted)
Isomeric SMILES C[C@]12CCC(=O)C=C1C=C[C@@H]3C2=CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C

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