| SpectraBase Compound ID | EfUBcKnwhuL |
|---|---|
| InChI | InChI=1S/C33H56O4/c1-6-8-17-33(37,18-9-7-2)21-16-29(35)32(5,36)28-13-12-26-25-11-10-23-22-24(34)14-19-30(23,3)27(25)15-20-31(26,28)4/h10,24-28,34,36-37H,6-9,11-22H2,1-5H3/t24-,25-,26-,27-,28-,30-,31-,32+/m0/s1 |
| InChIKey | CICRFOZQRQGCHK-JGBQXQTDSA-N |
| Mol Weight | 516.8 g/mol |
| Molecular Formula | C33H56O4 |
| Exact Mass | 516.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | zEqSKfM5Ku |
|---|---|
| Name | (20R)-26,27-Dipropyl-3.beta.,20,25-trihydroxy-cholest-5-en-22-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 516.417860279 u |
| Formula | C33H56O4 |
| InChI | InChI=1S/C33H56O4/c1-6-8-17-33(37,18-9-7-2)21-16-29(35)32(5,36)28-13-12-26-25-11-10-23-22-24(34)14-19-30(23,3)27(25)15-20-31(26,28)4/h10,24-28,34,36-37H,6-9,11-22H2,1-5H3/t24-,25-,26-,27-,28-,30-,31-,32+/m0/s1 |
| InChIKey | CICRFOZQRQGCHK-JGBQXQTDSA-N |
| Molecular Weight | 516.807 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(=O)CCC(O)(CCCC)CCCC)(O)C)[H])[H])C |