![3-.alpha.-[2-(Hydroxymethyl)phenylmethyl]-5.alpha.-cholestan-3.beta.-ol](/api/spectrum/92rfrtNXN4v/structure.png?h=300&w=458 "3-.alpha.-[2-(Hydroxymethyl)phenylmethyl]-5.alpha.-cholestan-3.beta.-ol")
| SpectraBase Compound ID | 1V6BvcwcbHr |
|---|---|
| InChI | InChI=1S/C35H56O2/c1-24(2)9-8-10-25(3)30-15-16-31-29-14-13-28-22-35(37,21-26-11-6-7-12-27(26)23-36)20-19-33(28,4)32(29)17-18-34(30,31)5/h6-7,11-12,24-25,28-32,36-37H,8-10,13-23H2,1-5H3/t25-,28+,29+,30-,31+,32+,33+,34-,35-/m1/s1 |
| InChIKey | MKWPULUUEPHYGR-VGHIVNEZSA-N |
| Mol Weight | 508.8 g/mol |
| Molecular Formula | C35H56O2 |
| Exact Mass | 508.428031 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 92rfrtNXN4v |
|---|---|
| Name | 3-.alpha.-[2-(Hydroxymethyl)phenylmethyl]-5.alpha.-cholestan-3.beta.-ol |
| Alternate Name(s) | (2-{[(3beta,5alpha)-3-hydroxycholestan-3-yl]methyl}phenyl)methanol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H56O2 |
| InChI | InChI=1S/C35H56O2/c1-24(2)9-8-10-25(3)30-15-16-31-29-14-13-28-22-35(37,21-26-11-6-7-12-27(26)23-36)20-19-33(28,4)32(29)17-18-34(30,31)5/h6-7,11-12,24-25,28-32,36-37H,8-10,13-23H2,1-5H3/t25-,28+,29+,30-,31+,32+,33+,34-,35-/m1/s1 |
| InChIKey | MKWPULUUEPHYGR-VGHIVNEZSA-N |
| Molecular Weight | 508.831 g/mol |
| SMILES | O[C@@]1(Cc2c(CO)cccc2)CC[C@]2([C@](C1)(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C |
| SPLASH | splash10-0udi-1900000000-db177fcc0cf58b916f28 |
| Source of Spectrum | KD-12-809-16 |
| Wiley ID | 1634298 |