| SpectraBase Compound ID | HA9mu5SPQnB |
|---|---|
| InChI | InChI=1S/C35H40O7/c1-22(36)27-16-19-35(40)33(27,3)29(42-31(38)24-12-8-5-9-13-24)21-28-32(2)17-15-26(20-25(32)14-18-34(28,35)39)41-30(37)23-10-6-4-7-11-23/h4-14,26-29,39-40H,15-21H2,1-3H3/t26-,27+,28+,29+,32-,33-,34-,35+/m0/s1 |
| InChIKey | IDAKMNKLMBDWFD-QWIMECJQSA-N |
| Mol Weight | 572.7 g/mol |
| Molecular Formula | C35H40O7 |
| Exact Mass | 572.277404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BFLPaLj0gXh |
|---|---|
| Name | 3-BETA-12-BETA-BIS-(BENZOYLOXY)-8,14-DIHYDROXY-14-BETA-17-ALPHA-PREGN-5-EN-20-ON |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H40O7 |
| InChI | InChI=1S/C35H40O7/c1-22(36)27-16-19-35(40)33(27,3)29(42-31(38)24-12-8-5-9-13-24)21-28-32(2)17-15-26(20-25(32)14-18-34(28,35)39)41-30(37)23-10-6-4-7-11-23/h4-14,26-29,39-40H,15-21H2,1-3H3/t26-,27+,28+,29+,32-,33-,34-,35+/m0/s1 |
| InChIKey | IDAKMNKLMBDWFD-QWIMECJQSA-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 | 572.698 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW82 |