| SpectraBase Compound ID | DNoqzFGK9nL |
|---|---|
| InChI | InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-13,17,23-24,26-27,29H,9-11,14-16,18-22H2,1-5H3/t24-,26+,27+,29-,33+,34-/m1/s1 |
| InChIKey | QIBPWHCNUAMCBM-RHZJNWCLSA-N |
| Mol Weight | 488.8 g/mol |
| Molecular Formula | C34H48O2 |
| Exact Mass | 488.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9AzMto30Y0d |
|---|---|
| Name | 3.beta.-(benzoyloxy)-5.alpha.-cholesta-8,14-diene |
| Alternate Name(s) | (3beta,5alpha)-cholesta-8,14-dien-3-yl benzoate |
| CAS Registry Number | 74524-23-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H48O2 |
| InChI | InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-13,17,23-24,26-27,29H,9-11,14-16,18-22H2,1-5H3/t24-,26+,27+,29-,33+,34-/m1/s1 |
| InChIKey | QIBPWHCNUAMCBM-RHZJNWCLSA-N |
| Molecular Weight | 488.756 g/mol |
| SMILES | C1=2C3=C([C@]4(CC[C@](OC(=O)c5ccccc5)(C[C@@]4(CC3)[H])[H])C)CC[C@@]1([C@@]([C@@](CCCC(C)C)(C)[H])(CC2)[H])C |
| SPLASH | splash10-0f79-0329800000-3277b0fcba1d548ab7d5 |
| Source of Spectrum | J-53-1719-5 |
| Wiley ID | 1397017 |