Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3,6-dioxo-, γ-lactone, (17α)-
CAS Registry Number®
38753-78-5
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CAS Name
Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3,6-dioxo-, γ-lactone, (17α)-Molecular Formula
C22H28O4Molecular Mass
356.46Cite this Page
Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3,6-dioxo-, γ-lactone, (17α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=38753-78-5 (retrieved ) (CAS RN: 38753-78-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
222.5-227.5 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C22H28O4/c1-20-7-3-13(23)11-17(20)18(24)12-14-15(20)4-8-21(2)16(14)5-9-22(21)10-6-19(25)26-22/h11,14-16H,3-10,12H2,1-2H3/t14-,15+,16+,20-,21+,22-/m1/s1
InChIKey
InChIKey=AZEYSSQIWVQIBS-XMOSRXQISA-N
SMILES
C[C@@]12[C@@]3(CC[C@]1([C@]4([C@](CC2)([C@]5(C)C(C(=O)C4)=CC(=O)CC5)[H])[H])[H])CCC(=O)O3
Canonical SMILES
O=C1OC2(CC1)CCC3C4CC(=O)C5=CC(=O)CCC5(C)C4CCC32C
Other Names for this Substance
- Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3,6-dioxo-, γ-lactone, (17α)-
- 17α-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3,6-dioxo-, γ-lactone
- 3-(3,6-Dioxo-17β-hydroxy-4-androsten-17α-yl)propionic acid γ-lactone
