![3'.alpha.-[Lup-20(29)-ene-28-ol-3.beta.-oxy]-dihydronepetalactone](/api/spectrum/B4YM2EvJAH2/structure.png?h=300&w=458 "3'.alpha.-[Lup-20(29)-ene-28-ol-3.beta.-oxy]-dihydronepetalactone")
| SpectraBase Compound ID | E0cdXVV68Sy |
|---|---|
| InChI | InChI=1S/C40H64O4/c1-23(2)26-14-19-40(22-41)21-20-38(8)28(33(26)40)12-13-30-37(7)17-16-31(36(5,6)29(37)15-18-39(30,38)9)43-35-25(4)27-11-10-24(3)32(27)34(42)44-35/h24-33,35,41H,1,10-22H2,2-9H3/t24-,25-,26?,27?,28?,29?,30?,31-,32+,33?,35?,37-,38+,39+,40+/m0/s1 |
| InChIKey | QQSXZUVLCVXJBI-RQACPGKUSA-N |
| Mol Weight | 608.9 g/mol |
| Molecular Formula | C40H64O4 |
| Exact Mass | 608.480461 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B4YM2EvJAH2 |
|---|---|
| Name | 3'.alpha.-[Lup-20(29)-ene-28-ol-3.beta.-oxy]-dihydronepetalactone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H64O4 |
| InChI | InChI=1S/C40H64O4/c1-23(2)26-14-19-40(22-41)21-20-38(8)28(33(26)40)12-13-30-37(7)17-16-31(36(5,6)29(37)15-18-39(30,38)9)43-35-25(4)27-11-10-24(3)32(27)34(42)44-35/h24-33,35,41H,1,10-22H2,2-9H3/t24-,25-,26?,27?,28?,29?,30?,31-,32+,33?,35?,37-,38+,39+,40+/m0/s1 |
| InChIKey | QQSXZUVLCVXJBI-RQACPGKUSA-N |
| Molecular Weight | 608.948 g/mol |
| SMILES | OC[C@]12CC[C@]3([C@]4(C([C@]5(CC[C@@](C(C5CC4)(C)C)(OC4OC(=O)[C@]5(C([C@@]4(C)[H])CC[C@@]5(C)[H])[H])[H])C)CCC3C2C(C(=C)C)CC1)C)C |
| SPLASH | splash10-067s-6920240000-9fb6634718e2499a4ec2 |
| Source of Spectrum | G4-63-890-4 |
| Wiley ID | 1608492 |