![3-O-BETA-[GALACTOPYRANOSYL-(1->4)-GLUCOPYRANOSYL-(1->4)-[ARABINOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-GYPSOGENIN](/api/spectrum/I32D1ycADQ/structure.png?h=300&w=458 "3-O-BETA-[GALACTOPYRANOSYL-(1->4)-GLUCOPYRANOSYL-(1->4)-[ARABINOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-GYPSOGENIN")
| SpectraBase Compound ID | FK9W4cqU2Ad |
|---|---|
| InChI | InChI=1S/C53H82O24/c1-48(2)13-15-53(47(68)69)16-14-51(5)22(23(53)17-48)7-8-28-49(3)11-10-29(50(4,21-56)27(49)9-12-52(28,51)6)73-46-37(65)39(75-43-34(62)30(58)24(57)20-70-43)40(41(77-46)42(66)67)76-45-36(64)33(61)38(26(19-55)72-45)74-44-35(63)32(60)31(59)25(18-54)71-44/h7,21,23-41,43-46,54-55,57-65H,8-20H2,1-6H3,(H,66,67)(H,68,69)/t23?,24-,25+,26-,27?,28?,29+,30-,31-,32-,33-,34+,35+,36-,37-,38-,39-,40+,41+,43-,44-,45+,46-,49+,50+,51-,52-,53+/m1/s1 |
| InChIKey | SWWKDEHIFGZPGM-KIBRQSQWSA-N |
| Mol Weight | 1103.2 g/mol |
| Molecular Formula | C53H82O24 |
| Exact Mass | 1102.519603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I32D1ycADQ |
|---|---|
| Name | 3-O-BETA-[GALACTOPYRANOSYL-(1->4)-GLUCOPYRANOSYL-(1->4)-[ARABINOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-GYPSOGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H82O24 |
| InChI | InChI=1S/C53H82O24/c1-48(2)13-15-53(47(68)69)16-14-51(5)22(23(53)17-48)7-8-28-49(3)11-10-29(50(4,21-56)27(49)9-12-52(28,51)6)73-46-37(65)39(75-43-34(62)30(58)24(57)20-70-43)40(41(77-46)42(66)67)76-45-36(64)33(61)38(26(19-55)72-45)74-44-35(63)32(60)31(59)25(18-54)71-44/h7,21,23-41,43-46,54-55,57-65H,8-20H2,1-6H3,(H,66,67)(H,68,69)/t23?,24-,25+,26-,27?,28?,29+,30-,31-,32-,33-,34+,35+,36-,37-,38-,39-,40+,41+,43-,44-,45+,46-,49+,50+,51-,52-,53+/m1/s1 |
| InChIKey | SWWKDEHIFGZPGM-KIBRQSQWSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 1103.220 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN1085 |