3-[(3,20-Dioxopregn-4-en-4-yl)thio]propanoic acid
CAS Registry Number®
81983-26-8
CAS Name
3-[(3,20-Dioxopregn-4-en-4-yl)thio]propanoic acidMolecular Formula
C24H34O4SMolecular Mass
418.59Cite this Page
3-[(3,20-Dioxopregn-4-en-4-yl)thio]propanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=81983-26-8 (retrieved ) (CAS RN: 81983-26-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
178-179 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C24H34O4S/c1-14(25)16-6-7-17-15-4-5-19-22(29-13-10-21(27)28)20(26)9-12-24(19,3)18(15)8-11-23(16,17)2/h15-18H,4-13H2,1-3H3,(H,27,28)/t15-,16+,17-,18-,23+,24+/m0/s1
InChIKey
InChIKey=QTJOSAPWTKBFKW-YDUFECBISA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)=O)CC4)[H])(CCC1=C(SCCC(O)=O)C(=O)CC2)[H])[H]
Canonical SMILES
O=C(O)CCSC=1C(=O)CCC2(C1CCC3C2CCC4(C)C(C(=O)C)CCC34)C
Other Names for this Substance
- Propanoic acid, 3-[(3,20-dioxopregn-4-en-4-yl)thio]-
- 3-[(3,20-Dioxopregn-4-en-4-yl)thio]propanoic acid