| SpectraBase Compound ID | 62G7ZcYgmHt |
|---|---|
| InChI | InChI=1S/C54H94O6S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-51(56)59-42-45(60-52(57)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)43-61(58)46-37-39-53(3)44(41-46)33-34-47-48-35-36-50(55)54(48,4)40-38-49(47)53/h33,45-49H,5-32,34-43H2,1-4H3/t45?,46-,47-,48-,49-,53-,54-,61?/m0/s1 |
| InChIKey | XYZSTYBJIIYLRK-JXNRCOEDSA-N |
| Mol Weight | 871.4 g/mol |
| Molecular Formula | C54H94O6S |
| Exact Mass | 870.677112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CpWPPPSzFaI |
|---|---|
| Name | 3-BETA-(D/L-1,2-DI-O-PALMITOYLGLYCERO)-SULFINYL-ANDROST-5-EN-17-ONE |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H94O6S |
| InChI | InChI=1S/C54H94O6S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-51(56)59-42-45(60-52(57)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)43-61(58)46-37-39-53(3)44(41-46)33-34-47-48-35-36-50(55)54(48,4)40-38-49(47)53/h33,45-49H,5-32,34-43H2,1-4H3/t45?,46-,47-,48-,49-,53-,54-,61?/m0/s1 |
| InChIKey | XYZSTYBJIIYLRK-JXNRCOEDSA-N |
| Literature Reference Author | J.R.WILLIAMS,J.C.BOEHM |
| Literature Reference Citation | STEROIDS,60,321(1995) |
| Literature Reference DOI | 10.1016/0039-128x(94)00066-l |
| Molecular Weight | 871.397 g/mol |
| Source File Reference | UWLU73803 |