Pregn-4-ene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9β,11β)-
CAS Registry Number®
10072-97-6
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CAS Name
Pregn-4-ene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9β,11β)-Molecular Formula
C21H28O5Molecular Mass
360.44Cite this Page
Pregn-4-ene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9β,11β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=10072-97-6 (retrieved ) (CAS RN: 10072-97-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
210-211 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H28O5/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(25,16(24)11-22)19(14,2)10-17-21(15,18)26-17/h9,14-15,17,22,25H,3-8,10-11H2,1-2H3/t14-,15-,17-,18-,19-,20-,21+/m0/s1
InChIKey
InChIKey=FJCQSIDXADHVFH-FEUSSREZSA-N
SMILES
C[C@@]12[C@@]34[C@@](O3)(C[C@@]5(C)[C@]([C@@]4(CCC1=CC(=O)CC2)[H])(CC[C@@]5(C(CO)=O)O)[H])[H]
Canonical SMILES
O=C1C=C2CCC3C4CCC(O)(C(=O)CO)C4(C)CC5OC53C2(C)CC1
Other Names for this Substance
- Pregn-4-ene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9β,11β)-
- 9β-Pregn-4-ene-3,20-dione, 9,11β-epoxy-17,21-dihydroxy-
- 9,11-Epoxy-9H-cyclopenta[a]phenanthrene, pregn-4-ene-3,20-dione deriv.
- 9β,11β-Epoxy-17,21-dihydroxypregn-4-ene-3,20-dione
