| SpectraBase Compound ID | V1nP8DFi8R |
|---|---|
| InChI | InChI=1S/C56H80O16/c1-30(67-51(59)34-16-12-10-13-17-34)38-23-25-56(61)39-21-20-36-26-37(22-24-54(36,5)40(39)27-43(55(38,56)6)70-52(60)35-18-14-11-15-19-35)69-44-28-41(62-7)48(32(3)65-44)71-45-29-42(63-8)49(33(4)66-45)72-53-47(58)50(64-9)46(57)31(2)68-53/h10-19,30-33,36-50,53,57-58,61H,20-29H2,1-9H3/t30-,31-,32-,33+,36+,37+,38-,39?,40?,41+,42-,43-,44+,45-,46-,47-,48-,49+,50-,53+,54+,55+,56+/m1/s1 |
| InChIKey | PHFVGUJWCKILHY-KMTXGBDRSA-N |
| Mol Weight | 1009.2 g/mol |
| Molecular Formula | C56H80O16 |
| Exact Mass | 1008.544636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7n3wtQKKTu7 |
|---|---|
| Name | BOUCEROSIDE_CNC;BOUCEROGENIN_II_3-O-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H80O16 |
| InChI | InChI=1S/C56H80O16/c1-30(67-51(59)34-16-12-10-13-17-34)38-23-25-56(61)39-21-20-36-26-37(22-24-54(36,5)40(39)27-43(55(38,56)6)70-52(60)35-18-14-11-15-19-35)69-44-28-41(62-7)48(32(3)65-44)71-45-29-42(63-8)49(33(4)66-45)72-53-47(58)50(64-9)46(57)31(2)68-53/h10-19,30-33,36-50,53,57-58,61H,20-29H2,1-9H3/t30-,31-,32-,33+,36+,37+,38-,39?,40?,41+,42-,43-,44+,45-,46-,47-,48-,49+,50-,53+,54+,55+,56+/m1/s1 |
| InChIKey | PHFVGUJWCKILHY-KMTXGBDRSA-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 | 1009.242 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ25518 |