| SpectraBase Spectrum ID |
IRG0e8hD8NI |
| Name |
Ethyl (3S)-3-{1-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)-silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]ethyl}heptanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H76O4Si2 |
| InChI |
InChI=1S/C42H76O4Si2/c1-16-18-20-34(29-39(43)44-17-2)30(3)35-24-25-36-33(21-19-26-42(35,36)11)23-22-32-27-37(45-47(12,13)40(5,6)7)31(4)38(28-32)46-48(14,15)41(8,9)10/h22-23,30,34-38H,4,16-21,24-29H2,1-3,5-15H3/b33-23+/t30-,34+,35-,36+,37-,38-,42-/m1/s1 |
| InChIKey |
DNLVBEMGFPHTOY-DIBYKUJGSA-N |
| Instrument Name |
a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm100649d |
| Reported Formula |
C42H76O4Si2 |
| SMILES |
C1C[C@]2([C@](\C(C1)=C\C=C1C[C@](C([C@@](C1)(O[Si](C(C)(C)C)(C)C)[H])=C)(O[Si](C(C)(C)C)(C)C)[H])(CC[C@@]2([C@@]([C@](CC(OCC)=O)(CCCC)[H])(C)[H])[H])[H])C |
| SPLASH |
splash10-00xr-9114040000-116e18963c47971d93b6 |
| Source of Spectrum |
AF-53-5820-14 |
| Wiley ID |
1846209 |
![Ethyl (3S)-3-{1-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)-silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]ethyl}heptanoate](/api/spectrum/IRG0e8hD8NI/structure.png?h=300&w=458 "Ethyl (3S)-3-{1-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)-silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]ethyl}heptanoate")
