| SpectraBase Compound ID | DNJhOkZ55Ir |
|---|---|
| InChI | InChI=1S/C29H42O8/c1-17(30)34-15-29(16-35-18(2)31)14-25-23-8-7-21-13-22(36-19(3)32)9-11-27(21,5)24(23)10-12-28(25,6)26(29)37-20(4)33/h7,22-26H,8-16H2,1-6H3/t22-,23+,24-,25-,26+,27-,28-/m0/s1 |
| InChIKey | XNHRBQKYJJLFER-PMJXQHFJSA-N |
| Mol Weight | 518.6 g/mol |
| Molecular Formula | C29H42O8 |
| Exact Mass | 518.287968 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FsvBcAWuUkM |
|---|---|
| Name | 16,16-BIS-ACETYLOXYMETHYL-ANDROST-5-EN-3-BETA-17-BETA-DIOL-ACETATE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O8 |
| InChI | InChI=1S/C29H42O8/c1-17(30)34-15-29(16-35-18(2)31)14-25-23-8-7-21-13-22(36-19(3)32)9-11-27(21,5)24(23)10-12-28(25,6)26(29)37-20(4)33/h7,22-26H,8-16H2,1-6H3/t22-,23+,24-,25-,26+,27-,28-/m0/s1 |
| InChIKey | XNHRBQKYJJLFER-PMJXQHFJSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 518.648 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW98 |