![RUBICUNOSIDE-D;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-BUTYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XY](/api/spectrum/FbhN4oP92cG/structure.png?h=300&w=458 "RUBICUNOSIDE-D;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-BUTYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XY")
| SpectraBase Compound ID | E982NncreCk |
|---|---|
| InChI | InChI=1S/C83H130O42/c1-13-14-23-107-68(105)63-57(103)62(121-70-54(100)48(94)39(89)28-109-70)66(123-73-55(101)50(96)49(95)41(26-84)116-73)76(122-63)117-45-18-19-79(9)42(80(45,10)30-85)17-20-81(11)43(79)16-15-36-37-24-78(7,8)21-22-83(37,44(91)25-82(36,81)12)77(106)125-75-67(124-74-64(114-34(5)86)51(97)46(92)31(2)111-74)65(115-35(6)87)60(33(4)113-75)119-72-56(102)52(98)59(32(3)112-72)118-71-58(104)61(40(90)29-110-71)120-69-53(99)47(93)38(88)27-108-69/h15,30-33,37-67,69-76,84,88-104H,13-14,16-29H2,1-12H3/t31-,32+,33-,37?,38+,39-,40+,41+,42?,43?,44-,45+,46-,47-,48+,49-,50-,51+,52+,53+,54-,55+,56-,57+,58+,59+,60+,61-,62+,63+,64-,65+,66-,67-,69-,70+,71-,72+,73-,74+,75+,76-,79+,80+,81-,82-,83-/m1/s1 |
| InChIKey | RPNGSQHDVSTWGG-AIHDFTPMSA-N |
| Mol Weight | 1799.9 g/mol |
| Molecular Formula | C83H130O42 |
| Exact Mass | 1798.803668 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FbhN4oP92cG |
|---|---|
| Name | RUBICUNOSIDE-D;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-BUTYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XY |
| Compound Number | 149 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C83H130O42 |
| InChI | InChI=1S/C83H130O42/c1-13-14-23-107-68(105)63-57(103)62(121-70-54(100)48(94)39(89)28-109-70)66(123-73-55(101)50(96)49(95)41(26-84)116-73)76(122-63)117-45-18-19-79(9)42(80(45,10)30-85)17-20-81(11)43(79)16-15-36-37-24-78(7,8)21-22-83(37,44(91)25-82(36,81)12)77(106)125-75-67(124-74-64(114-34(5)86)51(97)46(92)31(2)111-74)65(115-35(6)87)60(33(4)113-75)119-72-56(102)52(98)59(32(3)112-72)118-71-58(104)61(40(90)29-110-71)120-69-53(99)47(93)38(88)27-108-69/h15,30-33,37-67,69-76,84,88-104H,13-14,16-29H2,1-12H3/t31-,32+,33-,37?,38+,39-,40+,41+,42?,43?,44-,45+,46-,47-,48+,49-,50-,51+,52+,53+,54-,55+,56-,57+,58+,59+,60+,61-,62+,63+,64-,65+,66-,67-,69-,70+,71-,72+,73-,74+,75+,76-,79+,80+,81-,82-,83-/m1/s1 |
| InChIKey | RPNGSQHDVSTWGG-AIHDFTPMSA-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 | 1799.920 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1320 |