| SpectraBase Compound ID | H05LE5123Gj |
|---|---|
| InChI | InChI=1S/C30H40O6/c1-19(11-9-17-31)10-8-12-20(2)26-22(33)18-24-28(4)16-14-25(36-21(3)32)30(6,27(34)35-7)23(28)13-15-29(24,26)5/h8-12,17,23-25H,13-16,18H2,1-7H3/b11-9+,12-8+,19-10+,26-20-/t23-,24?,25-,28+,29+,30-/m1/s1 |
| InChIKey | XCWQDUIKQDWONL-PMLAQSOASA-N |
| Mol Weight | 496.6 g/mol |
| Molecular Formula | C30H40O6 |
| Exact Mass | 496.282489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQSgrZRPMDu |
|---|---|
| Name | METHYLESTER-OF-3-O-ACETYLJASPIFERAL-B |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40O6 |
| InChI | InChI=1S/C30H40O6/c1-19(11-9-17-31)10-8-12-20(2)26-22(33)18-24-28(4)16-14-25(36-21(3)32)30(6,27(34)35-7)23(28)13-15-29(24,26)5/h8-12,17,23-25H,13-16,18H2,1-7H3/b11-9+,12-8+,19-10+,26-20-/t23-,24?,25-,28+,29+,30-/m1/s1 |
| InChIKey | XCWQDUIKQDWONL-PMLAQSOASA-N |
| Literature Reference Author | A.ZAMPELLA,M.V.DAURIA,C.DEBITUS,J.L.MENOU |
| Literature Reference Citation | J.NAT.PROD.,63,943(2000) |
| Literature Reference DOI | 10.1021/np000088u |
| Molecular Weight | 496.644 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU8560 |