| SpectraBase Compound ID | 2kVJk6yikRt |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-17(6-11-24(29)25(2,3)30)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7-8,17,19,21-24,28-30H,6,9-16H2,1-5H3/t17-,19+,21-,22+,23+,24+,26+,27-/m1/s1 |
| InChIKey | JTJWFLUAWMFCRO-OLPDBPAWSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AcUjOAl5w41 |
|---|---|
| Name | Cholesta-5,7-diene-3,24,25-triol, (3.beta.,24S)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.329045274 u |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-17(6-11-24(29)25(2,3)30)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7-8,17,19,21-24,28-30H,6,9-16H2,1-5H3/t17-,19+,21-,22+,23+,24+,26+,27-/m1/s1 |
| InChIKey | JTJWFLUAWMFCRO-OLPDBPAWSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](CC[C@@](C(O)(C)C)(O)[H])(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@@](CC2=CC1)(O)[H])C)[H])[H] |