SpectraBase Compound ID | 5wHcg8ayq81 |
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InChI | InChI=1S/C44H70O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-6-27-19(2)31-28(60-27)13-23-21-12-25(46)24-11-20(7-9-43(24,3)22(21)8-10-44(23,31)4)59-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)26(47)16-57-40/h18,20-24,26,28-42,45,47-55H,5-17H2,1-4H3/t18-,20-,21?,22?,23?,24+,26-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41+,42+,43+,44-/m0/s1 |
InChIKey | ZKCRBHUUXPULDX-QTRBNKAZSA-N |
Mol Weight | 887.0 g/mol |
Molecular Formula | C44H70O18 |
Exact Mass | 886.456215 g/mol |
SpectraBase Spectrum ID | 3jT2LQx39br |
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Name | CHINENOSIDE-III;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,26-DIHYDROXY-(25R)-5-ALPHA-FUROST-20(22)-EN-6-ONE-3-O-ALPHA-ARABINOPYRANOSYL-(1->6)-BETA-GLUCOPYR |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C44H70O18 |
InChI | InChI=1S/C44H70O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-6-27-19(2)31-28(60-27)13-23-21-12-25(46)24-11-20(7-9-43(24,3)22(21)8-10-44(23,31)4)59-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)26(47)16-57-40/h18,20-24,26,28-42,45,47-55H,5-17H2,1-4H3/t18-,20-,21?,22?,23?,24+,26-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41+,42+,43+,44-/m0/s1 |
InChIKey | ZKCRBHUUXPULDX-QTRBNKAZSA-N |
Literature Reference Author | J.P.PENG,X.S.YAO,Y.TEZUKA,T.KIKUCHI |
Literature Reference Citation | PHYTOCHEM.,41,283(1996) |
Literature Reference DOI | 10.1016/0031-9422(95)00553-6 |
Molecular Weight | 887.029 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU3882 |