| SpectraBase Compound ID | 7IaZP3azToS |
|---|---|
| InChI | InChI=1S/C38H46O14/c1-10-19(4)28(42)49-29-31(6)17-34(43)33(8,22(31)13-25(40)45-9)35-15-24(47-20(5)39)32(7)23(14-26(41)48-27(32)21-11-12-46-16-21)37(35)30(36(29,34)44)50-38(51-35,52-37)18(2)3/h10-12,14,16,18,22,24,27,29-30,43-44H,13,15,17H2,1-9H3/b19-10+/t22-,24-,27-,29-,30+,31-,32-,33-,34+,35-,36-,37+,38-/m0/s1 |
| InChIKey | MAALFCWFHOASHB-HLEHYGSDSA-N |
| Mol Weight | 726.8 g/mol |
| Molecular Formula | C38H46O14 |
| Exact Mass | 726.288756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DrDvDBHgjF8 |
|---|---|
| Name | 12-ALPHA-ACETOXYSWIETEPHRAGMIN_D |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H46O14 |
| InChI | InChI=1S/C38H46O14/c1-10-19(4)28(42)49-29-31(6)17-34(43)33(8,22(31)13-25(40)45-9)35-15-24(47-20(5)39)32(7)23(14-26(41)48-27(32)21-11-12-46-16-21)37(35)30(36(29,34)44)50-38(51-35,52-37)18(2)3/h10-12,14,16,18,22,24,27,29-30,43-44H,13,15,17H2,1-9H3/b19-10+/t22-,24-,27-,29-,30+,31-,32-,33-,34+,35-,36-,37+,38-/m0/s1 |
| InChIKey | MAALFCWFHOASHB-HLEHYGSDSA-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 | 726.775 g/mol |
| Sample ID | 29359 |
| Solvent | CDCl3 |