| SpectraBase Spectrum ID |
B19cjpWOBuN |
| Name |
Estra-1,3,5(10)-triene-2-carboxaldehyde, 3,16,17-tris(acetyloxy)-, (16.alpha.,17.beta.)- |
| CAS Registry Number |
123715-92-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H30O7 |
| InChI |
InChI=1S/C25H30O7/c1-13(27)30-22-10-16-5-6-19-18(20(16)9-17(22)12-26)7-8-25(4)21(19)11-23(31-14(2)28)24(25)32-15(3)29/h9-10,12,18-19,21,23-24H,5-8,11H2,1-4H3/t18-,19+,21-,23+,24-,25-/m0/s1 |
| InChIKey |
GGFAMPJPTZJKAF-XYZQOTMASA-N |
| Molecular Weight |
442.508 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])cc(C=O)c(c4)OC(=O)C)[H])(C[C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])[H])C |
| SPLASH |
splash10-0006-9000400000-c136130a2907728044ad |
| Source of Spectrum |
B-42-419-28 |
| Synonyms |
(16alpha,17beta)-16,17-bis(acetyloxy)-2-formylestra-1,3,5(10)-trien-3-yl acetate
2-Formylestra-1,3,5(10)-triene-3,16.alpha.,17.beta.-triyl 3,16,17-triacetate |
| Wiley ID |
1385372 |
