![3'.alpha.-[.beta.-Sitosterol-3.beta.-oxy]-dihydronepetalactone](/api/spectrum/7t8TGs6ayhQ/structure.png?h=300&w=458 "3'.alpha.-[.beta.-Sitosterol-3.beta.-oxy]-dihydronepetalactone")
| SpectraBase Compound ID | yf4mhQsY4G |
|---|---|
| InChI | InChI=1S/C39H64O3/c1-9-27(23(2)3)12-10-24(4)32-16-17-33-31-15-13-28-22-29(18-20-38(28,7)34(31)19-21-39(32,33)8)41-37-26(6)30-14-11-25(5)35(30)36(40)42-37/h13,23-27,29-35,37H,9-12,14-22H2,1-8H3/t24-,25+,26?,27?,29+,30-,31?,32?,33?,34?,35-,37-,38+,39-/m1/s1 |
| InChIKey | LBOXQMHTLYINFH-YCVIDTFCSA-N |
| Mol Weight | 580.9 g/mol |
| Molecular Formula | C39H64O3 |
| Exact Mass | 580.485546 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7t8TGs6ayhQ |
|---|---|
| Name | 3'.alpha.-[.beta.-Sitosterol-3.beta.-oxy]-dihydronepetalactone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H64O3 |
| InChI | InChI=1S/C39H64O3/c1-9-27(23(2)3)12-10-24(4)32-16-17-33-31-15-13-28-22-29(18-20-38(28,7)34(31)19-21-39(32,33)8)41-37-26(6)30-14-11-25(5)35(30)36(40)42-37/h13,23-27,29-35,37H,9-12,14-22H2,1-8H3/t24-,25+,26?,27?,29+,30-,31?,32?,33?,34?,35-,37-,38+,39-/m1/s1 |
| InChIKey | LBOXQMHTLYINFH-YCVIDTFCSA-N |
| Molecular Weight | 580.938 g/mol |
| SMILES | C1(O[C@@](O[C@@]2(CC3=CCC4C5[C@](C([C@@](CCC(C(C)C)CC)(C)[H])CC5)(C)CCC4[C@]3(CC2)C)[H])(C([C@@]2([C@]1([C@](CC2)(C)[H])[H])[H])C)[H])=O |
| SPLASH | splash10-000t-2219000000-7c755ad0ae29808fad60 |
| Source of Spectrum | G4-63-889-1 |
| Wiley ID | 1608495 |