| SpectraBase Compound ID | GlzQ0QvfOOr |
|---|---|
| InChI | InChI=1S/C39H48O14/c1-10-19(3)29(43)50-30-32(6)18-35(44)34(8,23(32)14-26(41)46-9)36-16-25(48-21(5)40)33(7)24(15-27(42)49-28(33)22-12-13-47-17-22)38(36)31(37(30,35)45)51-39(52-36,53-38)20(4)11-2/h10,12-13,15,17,20,23,25,28,30-31,44-45H,11,14,16,18H2,1-9H3/b19-10+/t20?,23-,25-,28-,30-,31+,32-,33-,34-,35+,36-,37-,38+,39-/m0/s1 |
| InChIKey | VOAFDGNTDIOGRM-UVNJIOFASA-N |
| Mol Weight | 740.8 g/mol |
| Molecular Formula | C39H48O14 |
| Exact Mass | 740.304406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tmlnaRGiql |
|---|---|
| Name | 12-ALPHA-ACETOXYSWIETEPHRAGMIN_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H48O14 |
| InChI | InChI=1S/C39H48O14/c1-10-19(3)29(43)50-30-32(6)18-35(44)34(8,23(32)14-26(41)46-9)36-16-25(48-21(5)40)33(7)24(15-27(42)49-28(33)22-12-13-47-17-22)38(36)31(37(30,35)45)51-39(52-36,53-38)20(4)11-2/h10,12-13,15,17,20,23,25,28,30-31,44-45H,11,14,16,18H2,1-9H3/b19-10+/t20?,23-,25-,28-,30-,31+,32-,33-,34-,35+,36-,37-,38+,39-/m0/s1 |
| InChIKey | VOAFDGNTDIOGRM-UVNJIOFASA-N |
| Literature Reference Author | M.N.DASILVA,M.S.P.ARRUDA,K.C.F.CASTRO,M.F.D.G.F.DASILVA,J.B. FERNANDES,P.C.VIEIRA |
| Literature Reference Citation | J.NAT.PROD.,71,1983(2008) |
| Literature Reference DOI | 10.1021/np800312h |
| Molecular Weight | 740.802 g/mol |
| Sample ID | 29358 |
| Solvent | CDCl3 |