| SpectraBase Compound ID | L6pQSL8mqq8 |
|---|---|
| InChI | InChI=1S/C40H48O17/c1-19-34(7,53-19)31(46)52-29-33(6)17-38-36(18-49-27(45)14-24(33)36)37-12-11-32(5,28(50-20(2)41)23-10-13-48-16-23)25(15-26(44)47-9)39(37,57-35(8,55-37)56-38)30(51-21(3)42)40(29,38)54-22(4)43/h10,13,16,19,24-25,28-30H,11-12,14-15,17-18H2,1-9H3/t19-,24+,25-,28+,29+,30+,32-,33+,34+,35-,36+,37+,38-,39-,40+/m1/s1 |
| InChIKey | WOMYAQYBQNDWIS-YXMMVLPCSA-N |
| Mol Weight | 800.8 g/mol |
| Molecular Formula | C40H48O17 |
| Exact Mass | 800.28915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | T339CzHgbd |
|---|---|
| Name | SWIETENITIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H48O17 |
| InChI | InChI=1S/C40H48O17/c1-19-34(7,53-19)31(46)52-29-33(6)17-38-36(18-49-27(45)14-24(33)36)37-12-11-32(5,28(50-20(2)41)23-10-13-48-16-23)25(15-26(44)47-9)39(37,57-35(8,55-37)56-38)30(51-21(3)42)40(29,38)54-22(4)43/h10,13,16,19,24-25,28-30H,11-12,14-15,17-18H2,1-9H3/t19-,24+,25-,28+,29+,30+,32-,33+,34+,35-,36+,37+,38-,39-,40+/m1/s1 |
| InChIKey | WOMYAQYBQNDWIS-YXMMVLPCSA-N |
| Literature Reference Author | B.D.LIN,C.R.ZHANG,S.P.YANG,S.ZHANG,Y.WU,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,72,1305(2009) |
| Literature Reference DOI | 10.1021/np900139c |
| Molecular Weight | 800.811 g/mol |
| Sample ID | 33210 |
| Solvent | CDCl3 |