![3'.alpha.-[Olean-12-ene-28-oyl-3.beta.-oxy]-dihydronepetalactone](/api/spectrum/1zLvd4W8dqe/structure.png?h=300&w=458 "3'.alpha.-[Olean-12-ene-28-oyl-3.beta.-oxy]-dihydronepetalactone")
| SpectraBase Compound ID | JyFtAFhe4ts |
|---|---|
| InChI | InChI=1S/C40H62O5/c1-23-10-11-25-24(2)33(45-32(41)31(23)25)44-30-15-16-37(7)28(36(30,5)6)14-17-39(9)29(37)13-12-26-27-22-35(3,4)18-20-40(27,34(42)43)21-19-38(26,39)8/h12,23-25,27-31,33H,10-11,13-22H2,1-9H3,(H,42,43)/t23-,24-,25?,27?,28?,29?,30-,31+,33?,37-,38+,39+,40-/m0/s1 |
| InChIKey | GYCDWUMJRWZWNJ-UBIXJVCNSA-N |
| Mol Weight | 622.9 g/mol |
| Molecular Formula | C40H62O5 |
| Exact Mass | 622.459725 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1zLvd4W8dqe |
|---|---|
| Name | 3'.alpha.-[Olean-12-ene-28-oyl-3.beta.-oxy]-dihydronepetalactone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H62O5 |
| InChI | InChI=1S/C40H62O5/c1-23-10-11-25-24(2)33(45-32(41)31(23)25)44-30-15-16-37(7)28(36(30,5)6)14-17-39(9)29(37)13-12-26-27-22-35(3,4)18-20-40(27,34(42)43)21-19-38(26,39)8/h12,23-25,27-31,33H,10-11,13-22H2,1-9H3,(H,42,43)/t23-,24-,25?,27?,28?,29?,30-,31+,33?,37-,38+,39+,40-/m0/s1 |
| InChIKey | GYCDWUMJRWZWNJ-UBIXJVCNSA-N |
| Molecular Weight | 622.931 g/mol |
| SMILES | OC([C@@]12CC[C@@]3(C(C1CC(C)(C)CC2)=CCC1[C@]2(CC[C@@](C(C2CC[C@@]31C)(C)C)(OC1OC(=O)[C@]2(C([C@@]1(C)[H])CC[C@@]2(C)[H])[H])[H])C)C)=O |
| SPLASH | splash10-0udm-0962300000-d5b2a5c12615315684f1 |
| Source of Spectrum | G4-63-890-3 |
| Wiley ID | 1608493 |