| SpectraBase Compound ID | 2oIrUKlPhBu |
|---|---|
| InChI | InChI=1S/C49H76O15/c1-25(50)32-18-20-49(54)33-16-15-30-21-31(17-19-47(30,5)34(33)22-37(48(32,49)6)62-45(53)29-13-11-10-12-14-29)61-38-23-35(55-7)42(27(3)58-38)63-39-24-36(56-8)43(28(4)59-39)64-46-41(52)44(57-9)40(51)26(2)60-46/h10-14,25-28,30-44,46,50-52,54H,15-24H2,1-9H3/t25-,26-,27-,28+,30+,31+,32-,33?,34?,35+,36-,37-,38+,39-,40-,41-,42-,43+,44-,46+,47+,48+,49+/m1/s1 |
| InChIKey | KDWCVPQWIDTNJV-WKZQOGCXSA-N |
| Mol Weight | 905.1 g/mol |
| Molecular Formula | C49H76O15 |
| Exact Mass | 904.518422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CfjMVirczhf |
|---|---|
| Name | BOUCEROSIDE_ANC;12-O-BENZOYL_DIHYDROBOUCERIN_3-O-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSI |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H76O15 |
| InChI | InChI=1S/C49H76O15/c1-25(50)32-18-20-49(54)33-16-15-30-21-31(17-19-47(30,5)34(33)22-37(48(32,49)6)62-45(53)29-13-11-10-12-14-29)61-38-23-35(55-7)42(27(3)58-38)63-39-24-36(56-8)43(28(4)59-39)64-46-41(52)44(57-9)40(51)26(2)60-46/h10-14,25-28,30-44,46,50-52,54H,15-24H2,1-9H3/t25-,26-,27-,28+,30+,31+,32-,33?,34?,35+,36-,37-,38+,39-,40-,41-,42-,43+,44-,46+,47+,48+,49+/m1/s1 |
| InChIKey | KDWCVPQWIDTNJV-WKZQOGCXSA-N |
| Literature Reference Author | T.TANAKA,S.TSUKAMOTO,K.HAYASHI |
| Literature Reference Citation | PHYTOCHEM.,29,229(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)89040-G |
| Molecular Weight | 905.133 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ25513 |