| SpectraBase Compound ID | A6Tj6igEQVW |
|---|---|
| InChI | InChI=1S/C40H44O14/c1-20(2)40-52-32-38(46)31(51-30(44)22-11-9-8-10-12-22)33(4)19-36(38,45)35(6,24(33)15-27(42)47-7)37(53-40)17-26(49-21(3)41)34(5)25(39(32,37)54-40)16-28(43)50-29(34)23-13-14-48-18-23/h8-14,16,18,20,24,26,29,31-32,45-46H,15,17,19H2,1-7H3/t24-,26-,29-,31-,32+,33-,34-,35-,36+,37-,38+,39+,40-/m0/s1 |
| InChIKey | KVZDZCHRKIXZEW-ZUYWVARVSA-N |
| Mol Weight | 748.8 g/mol |
| Molecular Formula | C40H44O14 |
| Exact Mass | 748.273106 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ki8ZxrS853z |
|---|---|
| Name | 3-BETA-O-DESTIGLOYL-3-BETA-O-BENZOYL-12-ALPHA-ACETOXYSWIETEPHRAGMIN_D |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H44O14 |
| InChI | InChI=1S/C40H44O14/c1-20(2)40-52-32-38(46)31(51-30(44)22-11-9-8-10-12-22)33(4)19-36(38,45)35(6,24(33)15-27(42)47-7)37(53-40)17-26(49-21(3)41)34(5)25(39(32,37)54-40)16-28(43)50-29(34)23-13-14-48-18-23/h8-14,16,18,20,24,26,29,31-32,45-46H,15,17,19H2,1-7H3/t24-,26-,29-,31-,32+,33-,34-,35-,36+,37-,38+,39+,40-/m0/s1 |
| InChIKey | KVZDZCHRKIXZEW-ZUYWVARVSA-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 | 748.781 g/mol |
| Sample ID | 29362 |
| Solvent | CDCl3 |