| SpectraBase Compound ID | 9stC4urFJ9F |
|---|---|
| InChI | InChI=1S/C30H42O13/c1-13-19(39-14(2)31)11-30(37)26(43-18(6)35)24-28(9,20(36)10-21(40-15(3)32)29(24)12-38-29)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29+,30+/m0/s1 |
| InChIKey | FOEBWBJOXJBODA-RRHJOLCQSA-N |
| Mol Weight | 610.7 g/mol |
| Molecular Formula | C30H42O13 |
| Exact Mass | 610.262541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IaUuJbiIyQc |
|---|---|
| Name | 1-BETA-HYDROXY-7-DEACETYL-BACCATIN-I |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O13 |
| InChI | InChI=1S/C30H42O13/c1-13-19(39-14(2)31)11-30(37)26(43-18(6)35)24-28(9,20(36)10-21(40-15(3)32)29(24)12-38-29)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29+,30+/m0/s1 |
| InChIKey | FOEBWBJOXJBODA-RRHJOLCQSA-N |
| Literature Reference Author | Z.HONGJIE,M.QING,X.WEI,Y.PING,S.HANDONG,Y.TAKEDA |
| Literature Reference Citation | PHYTOCHEM.,44,911(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00658-9 |
| Molecular Weight | 610.656 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA321 |