| SpectraBase Spectrum ID |
F7ZPc3doaG2 |
| Name |
3,3-(Ethylenedioxy)-17-[isocyano[p-methylphenyl)sulfonyl]methylene]estr-5-ene |
| Comments |
Removed - expert review: contamination (chloroform)) |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H35NO4S |
| InChI |
InChI=1S/C29H35NO4S/c1-19-3-6-21(7-4-19)35(31,32)27(18-30)26-10-9-25-24-8-5-20-17-29(33-15-16-34-29)14-12-22(20)23(24)11-13-28(25,26)2/h3-7,22-25H,8-17H2,1-2H3/b27-26+/t22?,23?,24?,25?,28-/m0/s1 |
| InChIKey |
KSSLRCDEKFYWSX-CEGNVJRCSA-N |
| Molecular Weight |
493.662 g/mol |
| SMILES |
c1(S(\C(=C\2[C@@]3(C(C4CC=C5C(C4CC3)CCC3(OCCO3)C5)CC2)C)C#N)(=O)=O)ccc(cc1)C |
| SPLASH |
splash10-0017-9100000000-e069302d92f2a09a190e |
| Source of Spectrum |
E1-36-1125-10 |
| Wiley ID |
1574599 |
![3,3-(Ethylenedioxy)-17-[isocyano[p-methylphenyl)sulfonyl]methylene]estr-5-ene](/api/spectrum/F7ZPc3doaG2/structure.png?h=300&w=458 "3,3-(Ethylenedioxy)-17-[isocyano[p-methylphenyl)sulfonyl]methylene]estr-5-ene")
