| SpectraBase Spectrum ID |
9Yz8I8a3MVR |
| Name |
Estra-1,3,5(10)-triene-2-carboxaldehyde, 3,16,17-trihydroxy-, (16.alpha.,17.beta.)- |
| CAS Registry Number |
123715-87-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H24O4 |
| InChI |
InChI=1S/C19H24O4/c1-19-5-4-12-13(15(19)8-17(22)18(19)23)3-2-10-7-16(21)11(9-20)6-14(10)12/h6-7,9,12-13,15,17-18,21-23H,2-5,8H2,1H3/t12-,13+,15-,17+,18-,19-/m0/s1 |
| InChIKey |
JCBDYGGAFCNBRC-VDWCWQFCSA-N |
| Molecular Weight |
316.397 g/mol |
| SMILES |
Oc1c(cc2c(CC[C@]3([C@]4([C@@]([C@]([C@@](C4)(O)[H])(O)[H])(CC[C@]23[H])C)[H])[H])c1)C=O |
| SPLASH |
splash10-014i-1539000000-f2c0aa5b5c37fccc5c8a |
| Source of Spectrum |
B-42-419-20 |
| Synonyms |
(16alpha,17beta)-3,16,17-trihydroxyestra-1,3,5(10)-triene-2-carbaldehyde
3,16.alpha.,17.beta.-trihydroxyestra-1,3,5(10)-triene-2-carbaldehyde |
| Wiley ID |
1316913 |
