![3-BETA-[[(D/L-1,2-DI-O-PALMITOYL-GLYCERO)-3-OXO-2-BUTYLOXY]-PHOSPHORYL]-ANDROST-5-EN-17-ONE;DIASTEREOMER-1](/api/spectrum/CCe2I9EBUa0/structure.png?h=300&w=458 "3-BETA-[[(D/L-1,2-DI-O-PALMITOYL-GLYCERO)-3-OXO-2-BUTYLOXY]-PHOSPHORYL]-ANDROST-5-EN-17-ONE;DIASTEREOMER-1")
| SpectraBase Compound ID | GxYDXCg2eJV |
|---|---|
| InChI | InChI=1S/C58H101O10P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-55(61)64-44-50(66-56(62)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-65-69(63,67-47(4)46(3)59)68-49-39-41-57(5)48(43-49)35-36-51-52-37-38-54(60)58(52,6)42-40-53(51)57/h35,47,49-53H,7-34,36-45H2,1-6H3/t47?,49-,50?,51-,52-,53-,57-,58-,69?/m0/s1 |
| InChIKey | MLCWXWMFQWVNIL-ISDXNQJHSA-N |
| Mol Weight | 989.4 g/mol |
| Molecular Formula | C58H101O10P |
| Exact Mass | 988.713236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCe2I9EBUa0 |
|---|---|
| Name | 3-BETA-[[(D/L-1,2-DI-O-PALMITOYL-GLYCERO)-3-OXO-2-BUTYLOXY]-PHOSPHORYL]-ANDROST-5-EN-17-ONE;DIASTEREOMER-1 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H101O10P |
| InChI | InChI=1S/C58H101O10P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-55(61)64-44-50(66-56(62)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-65-69(63,67-47(4)46(3)59)68-49-39-41-57(5)48(43-49)35-36-51-52-37-38-54(60)58(52,6)42-40-53(51)57/h35,47,49-53H,7-34,36-45H2,1-6H3/t47?,49-,50?,51-,52-,53-,57-,58-,69?/m0/s1 |
| InChIKey | MLCWXWMFQWVNIL-ISDXNQJHSA-N |
| Literature Reference Author | J.R.WILLIAMS,J.C.BOEHM |
| Literature Reference Citation | STEROIDS,60,333(1995) |
| Literature Reference DOI | 10.1016/0039-128x(95)00003-9 |
| Molecular Weight | 989.408 g/mol |
| Source File Reference | UWLU73806 |