| SpectraBase Compound ID | BFb7Lp0WZOO |
|---|---|
| InChI | InChI=1S/C39H49NO8S/c1-38-16-14-33-32-12-6-26(20-27(32)9-13-34(33)35(38)15-17-39(38)47-18-19-48-39)25-49(41,42)40(23-28-7-10-30(43-2)21-36(28)45-4)24-29-8-11-31(44-3)22-37(29)46-5/h6-8,10-12,20-22,33-35H,9,13-19,23-25H2,1-5H3/t33-,34-,35+,38+/m1/s1 |
| InChIKey | NYZYDWRSOHGXFD-HEMXLVIHSA-N |
| Mol Weight | 691.9 g/mol |
| Molecular Formula | C39H49NO8S |
| Exact Mass | 691.317889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6ZEshlAFczN |
|---|---|
| Name | N,N-bis(2',4'-Dimethoxybenzyl)-17,17-(ethylenedioxy)-estra-1,3,5(10)-triene-3-methanesulfonamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H49NO8S |
| InChI | InChI=1S/C39H49NO8S/c1-38-16-14-33-32-12-6-26(20-27(32)9-13-34(33)35(38)15-17-39(38)47-18-19-48-39)25-49(41,42)40(23-28-7-10-30(43-2)21-36(28)45-4)24-29-8-11-31(44-3)22-37(29)46-5/h6-8,10-12,20-22,33-35H,9,13-19,23-25H2,1-5H3/t33-,34-,35+,38+/m1/s1 |
| InChIKey | NYZYDWRSOHGXFD-HEMXLVIHSA-N |
| Molecular Weight | 691.880 g/mol |
| SMILES | C(N(S(Cc1cc2CC[C@]3([C@@]4(CCC5([C@]4(CC[C@@]3(c2cc1)[H])C)OCCO5)[H])[H])(=O)=O)Cc1c(cc(cc1)OC)OC)c1c(cc(cc1)OC)OC |
| SPLASH | splash10-0uxr-2905000000-b4242d64157e57203639 |
| Source of Spectrum | F5-3-3333-9 |
| Synonyms | N,N-bis(2,4-dimethoxybenzyl)-1-((8R,9S,13S,14S)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolan]-3-yl)methanesulfonamide N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-[(8'R,9'S,13'S,14'S)-13'-methyl-3'-spiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]yl]methanesulfonamide N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-[(8'R,9'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-yl]methanesulfonamide |
| Wiley ID | 1732467 |