![LOBATOSIDE-J;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-[GLUCOPYRANOSYL-(1->3)](/api/spectrum/1Ne4c7kv1IJ/structure.png?h=300&w=458 "LOBATOSIDE-J;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-[GLUCOPYRANOSYL-(1->3)")
| SpectraBase Compound ID | 6M1aSQocc16 |
|---|---|
| InChI | InChI=1S/C70H110O36/c1-25-36(76)42(82)54(105-61-49(89)52(102-59-46(86)40(80)38(78)31(20-71)97-59)50(26(2)96-61)100-58-48(88)51(30(75)23-94-58)101-57-45(85)37(77)29(74)22-93-57)62(95-25)106-64(92)70-17-15-65(3,4)19-28(70)27-9-10-34-66(5)13-12-35(67(6,24-73)33(66)11-14-69(34,8)68(27,7)16-18-70)99-63-55(44(84)43(83)53(103-63)56(90)91)104-60-47(87)41(81)39(79)32(21-72)98-60/h9,24-26,28-55,57-63,71-72,74-89H,10-23H2,1-8H3,(H,90,91)/t25-,26+,28?,29-,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-,57+,58+,59-,60+,61+,62+,63-,66+,67+,68-,69-,70+/m1/s1 |
| InChIKey | FGRRBJSRJCVDKZ-JAJVCUERSA-N |
| Mol Weight | 1527.6 g/mol |
| Molecular Formula | C70H110O36 |
| Exact Mass | 1526.67768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Ne4c7kv1IJ |
|---|---|
| Name | LOBATOSIDE-J;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-[GLUCOPYRANOSYL-(1->3) |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H110O36 |
| InChI | InChI=1S/C70H110O36/c1-25-36(76)42(82)54(105-61-49(89)52(102-59-46(86)40(80)38(78)31(20-71)97-59)50(26(2)96-61)100-58-48(88)51(30(75)23-94-58)101-57-45(85)37(77)29(74)22-93-57)62(95-25)106-64(92)70-17-15-65(3,4)19-28(70)27-9-10-34-66(5)13-12-35(67(6,24-73)33(66)11-14-69(34,8)68(27,7)16-18-70)99-63-55(44(84)43(83)53(103-63)56(90)91)104-60-47(87)41(81)39(79)32(21-72)98-60/h9,24-26,28-55,57-63,71-72,74-89H,10-23H2,1-8H3,(H,90,91)/t25-,26+,28?,29-,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-,57+,58+,59-,60+,61+,62+,63-,66+,67+,68-,69-,70+/m1/s1 |
| InChIKey | FGRRBJSRJCVDKZ-JAJVCUERSA-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 | 1527.622 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1116 |