| SpectraBase Compound ID | 6TlomfUsigO |
|---|---|
| InChI | InChI=1S/C27H46O4/c1-24(2,30)13-12-23(29)27(5,31)22-9-8-20-19-7-6-17-16-18(28)10-14-25(17,3)21(19)11-15-26(20,22)4/h6,18-23,28-31H,7-16H2,1-5H3/t18-,19-,20-,21-,22-,23-,25-,26-,27+/m0/s1 |
| InChIKey | HDHGZWAZSSDHDI-OPHCCWNZSA-N |
| Mol Weight | 434.7 g/mol |
| Molecular Formula | C27H46O4 |
| Exact Mass | 434.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1sceS4vmtsh |
|---|---|
| Name | (20R,22S)-Cholest-5-ene-3.beta.,20,22,25-tetraol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.339609957 u |
| Formula | C27H46O4 |
| InChI | InChI=1S/C27H46O4/c1-24(2,30)13-12-23(29)27(5,31)22-9-8-20-19-7-6-17-16-18(28)10-14-25(17,3)21(19)11-15-26(20,22)4/h6,18-23,28-31H,7-16H2,1-5H3/t18-,19-,20-,21-,22-,23-,25-,26-,27+/m0/s1 |
| InChIKey | HDHGZWAZSSDHDI-OPHCCWNZSA-N |
| Molecular Weight | 434.661 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1([C@]([C@](CCC(O)(C)C)(O)[H])(O)C)[H])[H])C |