| SpectraBase Compound ID | 9sGUw9v6P4n |
|---|---|
| InChI | InChI=1S/C35H52O11/c1-18(36)26-10-11-27-25-9-8-23-16-24(12-14-34(23,6)28(25)13-15-35(26,27)7)45-33-32(44-22(5)40)31(43-21(4)39)30(42-20(3)38)29(46-33)17-41-19(2)37/h23-33H,8-17H2,1-7H3/t23-,24+,25?,26+,27-,28-,29+,30+,31-,32+,33+,34-,35+/m0/s1 |
| InChIKey | PKTMHNAWJRJSRC-PEZPRUKYSA-N |
| Mol Weight | 648.8 g/mol |
| Molecular Formula | C35H52O11 |
| Exact Mass | 648.350962 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FDg7XkdQi5J |
|---|---|
| Name | 5.alpha.-pregnan-20-one-2,3,4,6-tetra-O-acetyl-.beta.,D-glucopyranoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H52O11 |
| InChI | InChI=1S/C35H52O11/c1-18(36)26-10-11-27-25-9-8-23-16-24(12-14-34(23,6)28(25)13-15-35(26,27)7)45-33-32(44-22(5)40)31(43-21(4)39)30(42-20(3)38)29(46-33)17-41-19(2)37/h23-33H,8-17H2,1-7H3/t23-,24+,25?,26+,27-,28-,29+,30+,31-,32+,33+,34-,35+/m0/s1 |
| InChIKey | PKTMHNAWJRJSRC-PEZPRUKYSA-N |
| Molecular Weight | 648.790 g/mol |
| SMILES | [C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(O[C@]1(C[C@@]2(CCC3[C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)(C(=O)C)[H])[H])[H])[H])[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| SPLASH | splash10-0udi-0009000000-febfc0c0024dd7db8103 |
| Source of Spectrum | E1-40-1146-9 |
| Wiley ID | 1519397 |