SpectraBase Compound ID | 8XJN6b22n2Y |
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InChI | InChI=1S/C48H74O19/c1-19(2)22-9-12-48(14-13-45(6)24(30(22)48)15-25-40-46(45,7)11-10-23(20(3)4)47(40,8)28(50)16-29(51)63-25)44(60)67-43-37(58)34(55)32(53)27(65-43)18-61-41-38(59)35(56)39(26(17-49)64-41)66-42-36(57)33(54)31(52)21(5)62-42/h21-28,30-43,49-50,52-59H,1,3,9-18H2,2,4-8H3/t21-,22+,23+,24?,25-,26-,27-,28-,30-,31-,32-,33+,34+,35-,36+,37-,38-,39-,40?,41-,42-,43+,45-,46-,47-,48+/m1/s1 |
InChIKey | JVLBOZIUMGNKQW-GZJBTASMSA-N |
Mol Weight | 955.1 g/mol |
Molecular Formula | C48H74O19 |
Exact Mass | 954.48243 g/mol |
SpectraBase Spectrum ID | 3Ywjnvj7mwK |
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Name | CHIISANOSIDE |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C48H74O19 |
InChI | InChI=1S/C48H74O19/c1-19(2)22-9-12-48(14-13-45(6)24(30(22)48)15-25-40-46(45,7)11-10-23(20(3)4)47(40,8)28(50)16-29(51)63-25)44(60)67-43-37(58)34(55)32(53)27(65-43)18-61-41-38(59)35(56)39(26(17-49)64-41)66-42-36(57)33(54)31(52)21(5)62-42/h21-28,30-43,49-50,52-59H,1,3,9-18H2,2,4-8H3/t21-,22+,23+,24?,25-,26-,27-,28-,30-,31-,32-,33+,34+,35-,36+,37-,38-,39-,40?,41-,42-,43+,45-,46-,47-,48+/m1/s1 |
InChIKey | JVLBOZIUMGNKQW-GZJBTASMSA-N |
Literature Reference Author | K.SHIRASUNA,M.MIYAKOSHI,S.MIMOTO,S.ISODA,Y.SATOH,Y.HIRAI,Y.I DA,J.SHOJI |
Literature Reference Citation | PHYTOCHEM.,45,579(1997) |
Literature Reference DOI | 10.1016/S0031-9422(97)00017-4 |
Molecular Weight | 955.104 g/mol |
Solvent | C5D5N |
Source File Reference | UWSP1464 |