| SpectraBase Spectrum ID |
5LGMn1xAsVn |
| Name |
16.alpha.-(3-cyano-2-propenyl)-3-(benzyloxy)estra-1,3,5(10)-trien-17-one |
| CAS Registry Number |
106139-61-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H31NO2 |
| InChI |
InChI=1S/C29H31NO2/c1-29-15-14-25-24-13-11-23(32-19-20-7-3-2-4-8-20)17-21(24)10-12-26(25)27(29)18-22(28(29)31)9-5-6-16-30/h2-8,11,13,17,22,25-27H,9-10,12,14-15,18-19H2,1H3/b6-5+/t22-,25-,26-,27+,29+/m1/s1 |
| InChIKey |
ZRTPYOZRJZNFNT-KXVZHNOZSA-N |
| Molecular Weight |
425.572 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OCc2ccccc2)c4)[H])(C[C@](C1=O)(C\C=C\C#N)[H])[H])C |
| SPLASH |
splash10-0006-9000100000-8b3f31d8d94acfe4901a |
| Source of Spectrum |
J-52-250-5 |
| Synonyms |
(2E)-4-[(16alpha)-3-(benzyloxy)-17-oxoestra-1,3,5(10)-trien-16-yl]-2-butenenitrile |
| Wiley ID |
1379715 |
