![3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-[BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN](/api/spectrum/JdBozZAy1V5/structure.png?h=300&w=458 "3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-[BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN")
| SpectraBase Compound ID | JS3Onug1znC |
|---|---|
| InChI | InChI=1S/C47H76O18/c1-42(2)13-15-47(41(58)59)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-40-37(65-39-35(57)33(55)31(53)26(19-49)62-39)36(24(51)20-60-40)64-38-34(56)32(54)30(52)25(18-48)61-38/h7,23-40,48-57H,8-21H2,1-6H3,(H,58,59)/t23?,24-,25+,26-,27?,28?,29+,30+,31-,32-,33+,34+,35-,36-,37+,38-,39+,40-,43+,44+,45-,46-,47+/m1/s1 |
| InChIKey | RBCDYSPAGZIIFK-BTDDQOAJSA-N |
| Mol Weight | 929.1 g/mol |
| Molecular Formula | C47H76O18 |
| Exact Mass | 928.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JdBozZAy1V5 |
|---|---|
| Name | 3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-[BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O18 |
| InChI | InChI=1S/C47H76O18/c1-42(2)13-15-47(41(58)59)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-40-37(65-39-35(57)33(55)31(53)26(19-49)62-39)36(24(51)20-60-40)64-38-34(56)32(54)30(52)25(18-48)61-38/h7,23-40,48-57H,8-21H2,1-6H3,(H,58,59)/t23?,24-,25+,26-,27?,28?,29+,30+,31-,32-,33+,34+,35-,36-,37+,38-,39+,40-,43+,44+,45-,46-,47+/m1/s1 |
| InChIKey | RBCDYSPAGZIIFK-BTDDQOAJSA-N |
| Literature Reference Author | M.CHEN,W.W.WU,D.NANZ,O.STICHER |
| Literature Reference Citation | PHYTOCHEM.,44,497(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00546-8 |
| Molecular Weight | 929.110 g/mol |
| Solvent | C5D5N:CD3OD |
| Source File Reference | UWPA150 |