![3'.alpha.-[Lup-20(29)-ene-28-ol-3.beta.-oxy]-dihydronepetalactone](/api/spectrum/Kdbnw16cYNZ/structure.png?h=300&w=458 "3'.alpha.-[Lup-20(29)-ene-28-ol-3.beta.-oxy]-dihydronepetalactone")
| SpectraBase Compound ID | DCmsXxz8azv |
|---|---|
| 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-VYGOFPLISA-N |
| Mol Weight | 608.9 g/mol |
| Molecular Formula | C40H64O4 |
| Exact Mass | 608.480461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kdbnw16cYNZ |
|---|---|
| Name | 3'-ALPHA-[LUP-20(29)-ENE-28-OL-3-BETA-OXY]-DIHYDRONEPETALACTONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-VYGOFPLISA-N |
| Literature Reference Author | G.TOPCU,G.KOEKDIL,S.M.YALCIN |
| Literature Reference Citation | J.NAT.PROD.,63,888(2000) |
| Literature Reference DOI | 10.1021/np990523o |
| Molecular Weight | 608.946 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU8533 |