![(3S)-4-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-3-ethylpentan-1-ol](/api/spectrum/EU95zMJxi9S/structure.png?h=300&w=458 "(3S)-4-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-3-ethylpentan-1-ol")
| SpectraBase Compound ID | 3SYDdUOEqEI |
|---|---|
| InChI | InChI=1S/C38H70O3Si2/c1-15-30(22-24-39)27(2)32-20-21-33-31(17-16-23-38(32,33)10)19-18-29-25-34(40-42(11,12)36(4,5)6)28(3)35(26-29)41-43(13,14)37(7,8)9/h18-19,27,30,32-35,39H,3,15-17,20-26H2,1-2,4-14H3/b31-19+/t27-,30+,32-,33+,34-,35-,38-/m1/s1 |
| InChIKey | SPKZEUSCBQFYOU-FCBGQSLBSA-N |
| Mol Weight | 631.1 g/mol |
| Molecular Formula | C38H70O3Si2 |
| Exact Mass | 630.486349 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EU95zMJxi9S |
|---|---|
| Name | (3S)-4-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-3-ethylpentan-1-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H70O3Si2 |
| InChI | InChI=1S/C38H70O3Si2/c1-15-30(22-24-39)27(2)32-20-21-33-31(17-16-23-38(32,33)10)19-18-29-25-34(40-42(11,12)36(4,5)6)28(3)35(26-29)41-43(13,14)37(7,8)9/h18-19,27,30,32-35,39H,3,15-17,20-26H2,1-2,4-14H3/b31-19+/t27-,30+,32-,33+,34-,35-,38-/m1/s1 |
| InChIKey | SPKZEUSCBQFYOU-FCBGQSLBSA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Molecular Weight | 631.145 g/mol |
| Reported Formula | C38H70O3Si2 |
| SMILES | OCC[C@@]([C@]([C@]1(CC[C@@]2([C@@]1(CCC\C2=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])C)[H])[H])(C)[H])(CC)[H] |
| SPLASH | splash10-00dj-9113400000-7020e7578b5b0fafa8c8 |
| Source of Spectrum | AF-53-5821-17 |
| Wiley ID | 1846212 |