| SpectraBase Compound ID | 3vQT9yzMqy1 |
|---|---|
| InChI | InChI=1S/C33H44O7/c1-19(2)14-15-21-17-32(18-24(35)30(5,6)39)26(37)22-16-23(34)31(7,8)40-27(22)33(28(32)38,29(21,3)4)25(36)20-12-10-9-11-13-20/h9-14,21,23-24,34-35,39H,15-18H2,1-8H3/t21-,23-,24?,32-,33-/m0/s1 |
| InChIKey | MNWGDRNQSPLWQD-UCELTQAZSA-N |
| Mol Weight | 552.7 g/mol |
| Molecular Formula | C33H44O7 |
| Exact Mass | 552.308704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kc3pwj02xRX |
|---|---|
| Name | PROPOLONE_B |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H44O7 |
| InChI | InChI=1S/C33H44O7/c1-19(2)14-15-21-17-32(18-24(35)30(5,6)39)26(37)22-16-23(34)31(7,8)40-27(22)33(28(32)38,29(21,3)4)25(36)20-12-10-9-11-13-20/h9-14,21,23-24,34-35,39H,15-18H2,1-8H3/t21-,23-,24?,32-,33-/m0/s1 |
| InChIKey | MNWGDRNQSPLWQD-UCELTQAZSA-N |
| Literature Reference Author | I.M.HERNANDEZ,M.C.FERNANDEZ,O.CUESTA-RUBIO,A.L.PICCINELLI,L. RASTRELLI |
| Literature Reference Citation | J.NAT.PROD.,68,931(2005) |
| Literature Reference DOI | 10.1021/np0495884 |
| Molecular Weight | 552.708 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ10505 |