| SpectraBase Compound ID | ByKRdbIpYeg |
|---|---|
| InChI | InChI=1S/C33H50O9/c1-18(27(40-19(2)34)11-12-30(5,6)38)22-10-14-33(39)24-15-26(37)25-16-28(41-20(3)35)29(42-21(4)36)17-31(25,7)23(24)9-13-32(22,33)8/h15,18,22-23,25,27-29,38-39H,9-14,16-17H2,1-8H3/t18-,22+,23-,25-,27+,28+,29-,31+,32+,33+/m0/s1 |
| InChIKey | NNVBLQDIPNCOCY-HSCIAUBLSA-N |
| Mol Weight | 590.8 g/mol |
| Molecular Formula | C33H50O9 |
| Exact Mass | 590.345483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5DgEDx5YIL0 |
|---|---|
| Name | (22R)-2-BETA,3-BETA,22-TRISACETYLOXY-14,25-DIHYDROXY-5-BETA-CHOLEST-7-EN-6-ONE |
| Compound Number | 252 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H50O9 |
| InChI | InChI=1S/C33H50O9/c1-18(27(40-19(2)34)11-12-30(5,6)38)22-10-14-33(39)24-15-26(37)25-16-28(41-20(3)35)29(42-21(4)36)17-31(25,7)23(24)9-13-32(22,33)8/h15,18,22-23,25,27-29,38-39H,9-14,16-17H2,1-8H3/t18-,22+,23-,25-,27+,28+,29-,31+,32+,33+/m0/s1 |
| InChIKey | NNVBLQDIPNCOCY-HSCIAUBLSA-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 | 590.755 g/mol |
| Solvent | PYRIDINE |
| Source File Reference | UNIW3954 |