![3-O-BETA-[ARABINOPYRANOSYL-(1->2)-XYLOPYRANOSYL-(1->2)-GALACTOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->2)]-[GALACTOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-GYPSOGENIN](/api/spectrum/JIFHCMCLzCp/structure.png?h=300&w=458 "3-O-BETA-[ARABINOPYRANOSYL-(1->2)-XYLOPYRANOSYL-(1->2)-GALACTOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->2)]-[GALACTOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-GYPSOGENIN")
| SpectraBase Compound ID | 9XP07aJBbrN |
|---|---|
| InChI | InChI=1S/C63H98O32/c1-58(2)13-15-63(57(82)83)16-14-61(5)24(25(63)17-58)7-8-32-59(3)11-10-33(60(4,23-66)31(59)9-12-62(32,61)6)89-56-49(95-52-42(78)35(71)27(68)21-85-52)47(46(48(94-56)50(80)81)92-53-43(79)39(75)37(73)29(18-64)87-53)93-55-45(40(76)38(74)30(19-65)88-55)91-54-44(36(72)28(69)22-86-54)90-51-41(77)34(70)26(67)20-84-51/h7,23,25-49,51-56,64-65,67-79H,8-22H2,1-6H3,(H,80,81)(H,82,83)/t25?,26-,27-,28+,29+,30+,31?,32?,33-,34-,35+,36-,37-,38-,39-,40-,41+,42-,43+,44+,45+,46-,47-,48-,49+,51-,52+,53-,54-,55-,56+,59-,60-,61+,62+,63-/m0/s1 |
| InChIKey | QMPVUYOCWKFUIO-XZJOCFJRSA-N |
| Mol Weight | 1367.4 g/mol |
| Molecular Formula | C63H98O32 |
| Exact Mass | 1366.604121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JIFHCMCLzCp |
|---|---|
| Name | 3-O-BETA-[ARABINOPYRANOSYL-(1->2)-XYLOPYRANOSYL-(1->2)-GALACTOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->2)]-[GALACTOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-GYPSOGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H98O32 |
| InChI | InChI=1S/C63H98O32/c1-58(2)13-15-63(57(82)83)16-14-61(5)24(25(63)17-58)7-8-32-59(3)11-10-33(60(4,23-66)31(59)9-12-62(32,61)6)89-56-49(95-52-42(78)35(71)27(68)21-85-52)47(46(48(94-56)50(80)81)92-53-43(79)39(75)37(73)29(18-64)87-53)93-55-45(40(76)38(74)30(19-65)88-55)91-54-44(36(72)28(69)22-86-54)90-51-41(77)34(70)26(67)20-84-51/h7,23,25-49,51-56,64-65,67-79H,8-22H2,1-6H3,(H,80,81)(H,82,83)/t25?,26-,27-,28+,29+,30+,31?,32?,33-,34-,35+,36-,37-,38-,39-,40-,41+,42-,43+,44+,45+,46-,47-,48-,49+,51-,52+,53-,54-,55-,56+,59-,60-,61+,62+,63-/m0/s1 |
| InChIKey | QMPVUYOCWKFUIO-XZJOCFJRSA-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 | 1367.452 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN1089 |