| SpectraBase Compound ID | JuEJ2WCMAxr |
|---|---|
| InChI | InChI=1S/C39H48O16/c1-18-28-30(51-21(4)42)32(52-22(5)43)37(10)26(49-19(2)40)16-27-38(17-48-27,55-24(7)45)31(37)34(53-23(6)44)39(47,36(28,8)9)33(29(18)50-20(3)41)54-35(46)25-14-12-11-13-15-25/h11-15,26-27,29-34,47H,16-17H2,1-10H3/t26-,27+,29+,30+,31-,32-,33-,34-,37+,38-,39+/m0/s1 |
| InChIKey | VYMBRMWJTFHPGO-LNZPRBBBSA-N |
| Mol Weight | 772.8 g/mol |
| Molecular Formula | C39H48O16 |
| Exact Mass | 772.294235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82J3yZnJk0n |
|---|---|
| Name | 14-BETA-BENZOYLOXYBACCATIN_IV |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H48O16 |
| InChI | InChI=1S/C39H48O16/c1-18-28-30(51-21(4)42)32(52-22(5)43)37(10)26(49-19(2)40)16-27-38(17-48-27,55-24(7)45)31(37)34(53-23(6)44)39(47,36(28,8)9)33(29(18)50-20(3)41)54-35(46)25-14-12-11-13-15-25/h11-15,26-27,29-34,47H,16-17H2,1-10H3/t26-,27+,29+,30+,31-,32-,33-,34-,37+,38-,39+/m0/s1 |
| InChIKey | VYMBRMWJTFHPGO-LNZPRBBBSA-N |
| Literature Reference Author | F.S.WANG,L.Y.PENG,Y.ZHAO,G.XU,Q.S.ZHAO,H.D.SUN |
| Literature Reference Citation | J.NAT.PROD.,67,905(2004) |
| Literature Reference DOI | 10.1021/np034042n |
| Molecular Weight | 772.801 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ5589 |