| SpectraBase Spectrum ID |
BcVFX7tfzT3 |
| Name |
3-(Benzyloxy)-17,17-(1',3'-propanediyldioxy)estra-1,3,5(10)-triene |
| Alternate Name(s) |
(1'S,10'R,11'S,15'S)-5'-(benzyloxy)-15'-methylspiro[1,3-dioxane-2,14'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-2'(7'),3',5'-triene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H34O3 |
| InChI |
InChI=1S/C28H34O3/c1-27-14-12-24-23-11-9-22(29-19-20-6-3-2-4-7-20)18-21(23)8-10-25(24)26(27)13-15-28(27)30-16-5-17-31-28/h2-4,6-7,9,11,18,24-26H,5,8,10,12-17,19H2,1H3/t24-,25-,26+,27+/m1/s1 |
| InChIKey |
AEBBNUWYLLIBGQ-XDZXDJIYSA-N |
| Molecular Weight |
418.577 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OCc2ccccc2)c4)[H])(CCC11OCCCO1)[H])C |
| SPLASH |
splash10-01ox-9013100000-a5eebe9ed520470dd66c |
| Source of Spectrum |
U-1995-1626-22 |
| Wiley ID |
767640 |
