| SpectraBase Compound ID | 3BPjhqXHk0I |
|---|---|
| InChI | InChI=1S/C36H54O2/c1-7-26(24(2)3)14-13-25(4)31-17-18-32-30-16-15-28-23-29(38-34(37)27-11-9-8-10-12-27)19-21-35(28,5)33(30)20-22-36(31,32)6/h8-12,15,24-26,29-33H,7,13-14,16-23H2,1-6H3/t25-,26?,29-,30?,31?,32?,33?,35-,36+/m0/s1 |
| InChIKey | WFQRUMHMFCGSRO-ZQKACAHKSA-N |
| Mol Weight | 518.8 g/mol |
| Molecular Formula | C36H54O2 |
| Exact Mass | 518.412381 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7hlOV2eO3dM |
|---|---|
| Name | 3.beta.Benzoyl- .beta.-sitosterol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H54O2 |
| InChI | InChI=1S/C36H54O2/c1-7-26(24(2)3)14-13-25(4)31-17-18-32-30-16-15-28-23-29(38-34(37)27-11-9-8-10-12-27)19-21-35(28,5)33(30)20-22-36(31,32)6/h8-12,15,24-26,29-33H,7,13-14,16-23H2,1-6H3/t25-,26?,29-,30?,31?,32?,33?,35-,36+/m0/s1 |
| InChIKey | WFQRUMHMFCGSRO-ZQKACAHKSA-N |
| Molecular Weight | 518.826 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)c2ccccc2)(C4)[H])C)CCC1[C@](CCC(C(C)C)CC)(C)[H])C |
| SPLASH | splash10-000t-0019000000-037ad7de9ac99d616e77 |
| Source of Spectrum | QA-44-398-1 |
| Wiley ID | 862676 |