17-(Acetyloxy)-3-methoxy-20-oxopregna-3,5-diene-6-carboxaldehyde
CAS Registry Number®
57361-81-6
CAS Name
17-(Acetyloxy)-3-methoxy-20-oxopregna-3,5-diene-6-carboxaldehydeMolecular Formula
C25H34O5Molecular Mass
414.53Cite this Page
17-(Acetyloxy)-3-methoxy-20-oxopregna-3,5-diene-6-carboxaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=57361-81-6 (retrieved ) (CAS RN: 57361-81-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
205-208 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C25H34O5/c1-15(27)25(30-16(2)28)11-8-21-19-12-17(14-26)22-13-18(29-5)6-9-23(22,3)20(19)7-10-24(21,25)4/h13-14,19-21H,6-12H2,1-5H3/t19-,20+,21+,23-,24+,25+/m1/s1
InChIKey
InChIKey=KPFBUSLHFFWMAI-HYRPPVSQSA-N
SMILES
O(C(C)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@]4(C)C(=C(C=O)C3)C=C(OC)CC4)[H])[H])[H]
Canonical SMILES
O=CC1=C2C=C(OC)CCC2(C)C3CCC4(C)C(CCC4(OC(=O)C)C(=O)C)C3C1
Other Names for this Substance
- Pregna-3,5-diene-6-carboxaldehyde, 17-(acetyloxy)-3-methoxy-20-oxo-
- Pregna-3,5-diene-6-carboxaldehyde, 17-hydroxy-3-methoxy-20-oxo-, acetate
- 17-(Acetyloxy)-3-methoxy-20-oxopregna-3,5-diene-6-carboxaldehyde