| SpectraBase Compound ID | D7a2HdbeX6I |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-19(2)8-7-9-22(18-35-20(3)32)24-12-13-25-23-10-11-27-29(34)28(36-21(4)33)15-17-31(27,6)26(23)14-16-30(24,25)5/h11,19,22-26,28-29,34H,7-10,12-18H2,1-6H3/t22-,23-,24+,25-,26-,28+,29+,30+,31+/m0/s1 |
| InChIKey | RRWURCWQFFQHJV-DWTLGZLFSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C31H50O5 |
| Exact Mass | 502.365825 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C1YAQAH00Mn |
|---|---|
| Name | Cholest-5-ene-3.alpha.,4.beta.,21-triol - 3,21-Diacetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-19(2)8-7-9-22(18-35-20(3)32)24-12-13-25-23-10-11-27-29(34)28(36-21(4)33)15-17-31(27,6)26(23)14-16-30(24,25)5/h11,19,22-26,28-29,34H,7-10,12-18H2,1-6H3/t22-,23-,24+,25-,26-,28+,29+,30+,31+/m0/s1 |
| InChIKey | RRWURCWQFFQHJV-DWTLGZLFSA-N |
| Molecular Weight | 502.736 g/mol |
| SMILES | O[C@@]1(C=2[C@@]([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@](COC(=O)C)(CCCC(C)C)[H])[H])[H])(CC2)[H])[H])(CC[C@]1(OC(=O)C)[H])C)[H] |
| SPLASH | splash10-001i-0004900000-c86d7663f842bd9523f0 |
| Source of Spectrum | X4-24-319-0 |
| Synonyms | (3alpha,4beta)-21-(acetyloxy)-4-hydroxycholest-5-en-3-yl acetate |
| Wiley ID | 1586120 |