| SpectraBase Compound ID | 31OyTXmuW05 |
|---|---|
| InChI | InChI=1S/C35H62O5SSi/c1-24(2)13-11-14-25(3)30-16-17-31-26(15-12-18-35(30,31)7)19-33-28-20-27(40-42(9,10)34(4,5)6)21-32(39-23-38-8)29(28)22-41(33,36)37/h19,24-25,27,30-33H,11-18,20-23H2,1-10H3/b26-19+/t25-,27+,30?,31?,32-,33?,35?/m1/s1 |
| InChIKey | VZQFGGJCSFCTKP-TZKNTULQSA-N |
| Mol Weight | 623.0 g/mol |
| Molecular Formula | C35H62O5SSi |
| Exact Mass | 622.408723 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J6nF7sRlx8y |
|---|---|
| Name | (6S) Sulfonyl Adduct of -(5Z,7E)-1-(Methoxymethoxy)-3-(tert-butyldimethylsilyloxy)-9,10-seco-5,7,10(19)-cholestatriene |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H62O5SSi |
| InChI | InChI=1S/C35H62O5SSi/c1-24(2)13-11-14-25(3)30-16-17-31-26(15-12-18-35(30,31)7)19-33-28-20-27(40-42(9,10)34(4,5)6)21-32(39-23-38-8)29(28)22-41(33,36)37/h19,24-25,27,30-33H,11-18,20-23H2,1-10H3/b26-19+/t25-,27+,30?,31?,32-,33?,35?/m1/s1 |
| InChIKey | VZQFGGJCSFCTKP-TZKNTULQSA-N |
| Molecular Weight | 623.021 g/mol |
| SMILES | C1(S(CC=2[C@@](C[C@](CC12)(O[Si](C(C)(C)C)(C)C)[H])(OCOC)[H])(=O)=O)\C=C\1C2C(C([C@@](CCCC(C)C)(C)[H])CC2)(C)CCC1 |
| SPLASH | splash10-004j-0302940000-f4382a6705d769dc012f |
| Source of Spectrum | E2-48-1489-6 |
| Wiley ID | 1555274 |