| SpectraBase Compound ID | 17rSqBF4dao |
|---|---|
| InChI | InChI=1S/C41H48O13/c1-8-17(2)35(46)53-16-40(49)25-13-24(25)38(4)26(40)14-23-21(15-52-29(43)10-9-28(42)50-6)37(48)54-41(23)27(38)12-20-19-11-22(19)39(5)31(20)32(41)30(33(44)34(39)45)18(3)36(47)51-7/h8,19,22,24-27,32,34,45,49H,9-16H2,1-7H3/b17-8-,30-18-/t19-,22-,24-,25+,26?,27+,32+,34+,38+,39+,40+,41+/m1/s1 |
| InChIKey | XJVVFPZRUWTRKM-RTDWCBSFSA-N |
| Mol Weight | 748.8 g/mol |
| Molecular Formula | C41H48O13 |
| Exact Mass | 748.309492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUN3uzLFS1R |
|---|---|
| Name | CHLORAJAPONOL |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H48O13 |
| InChI | InChI=1S/C41H48O13/c1-8-17(2)35(46)53-16-40(49)25-13-24(25)38(4)26(40)14-23-21(15-52-29(43)10-9-28(42)50-6)37(48)54-41(23)27(38)12-20-19-11-22(19)39(5)31(20)32(41)30(33(44)34(39)45)18(3)36(47)51-7/h8,19,22,24-27,32,34,45,49H,9-16H2,1-7H3/b17-8-,30-18-/t19-,22-,24-,25+,26?,27+,32+,34+,38+,39+,40+,41+/m1/s1 |
| InChIKey | XJVVFPZRUWTRKM-RTDWCBSFSA-N |
| Literature Reference Author | Q.H.WANG,H.X.KUANG,B.Y.YANG,Y.G.XIA,J.S.WANG,L.Y.KONG |
| Literature Reference Citation | J.NAT.PROD.,74,16(2011) |
| Literature Reference DOI | 10.1021/np100504m |
| Molecular Weight | 748.824 g/mol |
| Sample ID | 37226 |
| Solvent | CD3OD |