| SpectraBase Compound ID | DXbCs47oxg3 |
|---|---|
| InChI | InChI=1S/C36H56O3/c1-23(2)10-9-11-24(3)29-15-16-30-28-13-12-26-22-25(18-20-35(26,4)31(28)19-21-36(29,30)5)27-14-17-32(37-6)34(39-8)33(27)38-7/h12,14,17,23-25,28-31H,9-11,13,15-16,18-22H2,1-8H3/t24-,25+,28+,29-,30+,31+,35+,36-/m1/s1 |
| InChIKey | JFECGENLZOIVPO-QOJDSQSZSA-N |
| Mol Weight | 536.8 g/mol |
| Molecular Formula | C36H56O3 |
| Exact Mass | 536.422946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRk5ZK8JCiW |
|---|---|
| Name | 3.beta.-(3',4',5'-Trimethoxyphenyl)cholest-5-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 536.422945660 u |
| Formula | C36H56O3 |
| InChI | InChI=1S/C36H56O3/c1-23(2)10-9-11-24(3)29-15-16-30-28-13-12-26-22-25(18-20-35(26,4)31(28)19-21-36(29,30)5)27-14-17-32(37-6)34(39-8)33(27)38-7/h12,14,17,23-25,28-31H,9-11,13,15-16,18-22H2,1-8H3/t24-,25+,28+,29-,30+,31+,35+,36-/m1/s1 |
| InChIKey | JFECGENLZOIVPO-QOJDSQSZSA-N |
| Molecular Weight | 536.841 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](C=2C(=C(OC)C(=CC2)OC)OC)(C4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |