![#1;SQUARROSIDE-A;3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)-]-BETA-D-GLUCURONOPYRANOSYL-GYPSOGENIN-28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA](/api/spectrum/7zGKiZvJ35D/structure.png?h=300&w=458 "#1;SQUARROSIDE-A;3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)-]-BETA-D-GLUCURONOPYRANOSYL-GYPSOGENIN-28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA")
| SpectraBase Compound ID | IKDKxPaNtlL |
|---|---|
| InChI | InChI=1S/C71H110O36/c1-26-50(101-58-44(84)38(78)31(76)23-93-58)43(83)48(88)60(95-26)106-56-54(104-61-46(86)41(81)34(22-73)99-61)51(97-28(3)75)27(2)96-63(56)107-65(92)71-18-16-66(4,5)20-30(71)29-10-11-36-67(6)14-13-37(68(7,25-74)35(67)12-15-70(36,9)69(29,8)17-19-71)100-64-55(105-62-47(87)42(82)40(80)33(21-72)98-62)52(49(89)53(103-64)57(90)91)102-59-45(85)39(79)32(77)24-94-59/h10,25-27,30-56,58-64,72-73,76-89H,11-24H2,1-9H3,(H,90,91)/t26-,27-,30-,31-,32-,33+,34-,35+,36+,37-,38+,39+,40-,41-,42-,43-,44-,45-,46+,47+,48+,49+,50-,51-,52+,53+,54-,55-,56+,58+,59+,60-,61-,62-,63-,64-,67-,68-,69+,70+,71-/m0/s1 |
| InChIKey | HXYTVNHXQDFALL-AAMNNHBTSA-N |
| Mol Weight | 1539.6 g/mol |
| Molecular Formula | C71H110O36 |
| Exact Mass | 1538.67768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zGKiZvJ35D |
|---|---|
| Name | #1;SQUARROSIDE-A;3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)-]-BETA-D-GLUCURONOPYRANOSYL-GYPSOGENIN-28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H110O36 |
| InChI | InChI=1S/C71H110O36/c1-26-50(101-58-44(84)38(78)31(76)23-93-58)43(83)48(88)60(95-26)106-56-54(104-61-46(86)41(81)34(22-73)99-61)51(97-28(3)75)27(2)96-63(56)107-65(92)71-18-16-66(4,5)20-30(71)29-10-11-36-67(6)14-13-37(68(7,25-74)35(67)12-15-70(36,9)69(29,8)17-19-71)100-64-55(105-62-47(87)42(82)40(80)33(21-72)98-62)52(49(89)53(103-64)57(90)91)102-59-45(85)39(79)32(77)24-94-59/h10,25-27,30-56,58-64,72-73,76-89H,11-24H2,1-9H3,(H,90,91)/t26-,27-,30-,31-,32-,33+,34-,35+,36+,37-,38+,39+,40-,41-,42-,43-,44-,45-,46+,47+,48+,49+,50-,51-,52+,53+,54-,55-,56+,58+,59+,60-,61-,62-,63-,64-,67-,68-,69+,70+,71-/m0/s1 |
| InChIKey | HXYTVNHXQDFALL-AAMNNHBTSA-N |
| Literature Reference Author | M.A.LACAILLE-DUBOIS,B.HANQUET,A.RUSTAIYAN,H.WAGNER |
| Literature Reference Citation | PHYTOCHEM.,34,489(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)80036-R |
| Molecular Weight | 1539.633 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU7351 |