| SpectraBase Compound ID | GLs25vmwnZ5 |
|---|---|
| InChI | InChI=1S/C37H56O3/c1-8-26(24(2)3)10-9-25(4)32-17-18-33-31-16-13-28-23-30(40-35(38)27-11-14-29(39-7)15-12-27)19-21-36(28,5)34(31)20-22-37(32,33)6/h11-15,24-26,30-34H,8-10,16-23H2,1-7H3/t25-,26?,30-,31?,32?,33?,34?,36-,37+/m0/s1 |
| InChIKey | QHOSPUURYIXTOH-HLOBWBJQSA-N |
| Mol Weight | 548.9 g/mol |
| Molecular Formula | C37H56O3 |
| Exact Mass | 548.422946 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Aa4pAYJLC8e |
|---|---|
| Name | .beta.-Sitosterol 4-Anisoylbenzoate dev |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H56O3 |
| InChI | InChI=1S/C37H56O3/c1-8-26(24(2)3)10-9-25(4)32-17-18-33-31-16-13-28-23-30(40-35(38)27-11-14-29(39-7)15-12-27)19-21-36(28,5)34(31)20-22-37(32,33)6/h11-15,24-26,30-34H,8-10,16-23H2,1-7H3/t25-,26?,30-,31?,32?,33?,34?,36-,37+/m0/s1 |
| InChIKey | QHOSPUURYIXTOH-HLOBWBJQSA-N |
| Molecular Weight | 548.852 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(c2ccc(cc2)OC)=O)(C4)[H])C)CCC1[C@](CCC(C(C)C)CC)(C)[H])C |
| SPLASH | splash10-000b-0749010000-f84b6728a262d22a7b77 |
| Source of Spectrum | QA-44-398-2 |
| Wiley ID | 862675 |