![VACCEGOSIDE-B;3-O-BETA-GALACTOPYRANOSYL-(1->2)-[GALACTOPYRANOSYL-(1->3)]-[ARABINOPYRANOSYL-(1->6)]-GLUCURONOPYRANOSYL,28-O-XYLOPYRANOSYL-(1->4)-R](/api/spectrum/87jWp9iJEdC/structure.png?h=300&w=458 "VACCEGOSIDE-B;3-O-BETA-GALACTOPYRANOSYL-(1->2)-[GALACTOPYRANOSYL-(1->3)]-[ARABINOPYRANOSYL-(1->6)]-GLUCURONOPYRANOSYL,28-O-XYLOPYRANOSYL-(1->4)-R")
| SpectraBase Compound ID | JMSyEHE9KlN |
|---|---|
| InChI | InChI=1S/C70H110O36/c1-25-36(76)52(101-59-48(88)43(83)51(26(2)96-59)100-57-44(84)37(77)29(74)22-93-57)50(90)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(104-61-47(87)42(82)40(80)32(21-72)98-61)53(102-60-46(86)41(81)39(79)31(20-71)97-60)49(89)54(103-63)56(91)105-58-45(85)38(78)30(75)23-94-58/h9,24-26,28-55,57-63,71-72,74-90H,10-23H2,1-8H3/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 | ROTCLWPEBOMZNQ-XWDNYKOASA-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 | 87jWp9iJEdC |
|---|---|
| Name | VACCEGOSIDE-B;3-O-BETA-GALACTOPYRANOSYL-(1->2)-[GALACTOPYRANOSYL-(1->3)]-[ARABINOPYRANOSYL-(1->6)]-GLUCURONOPYRANOSYL,28-O-XYLOPYRANOSYL-(1->4)-R |
| Compound Number | 186 |
| 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)52(101-59-48(88)43(83)51(26(2)96-59)100-57-44(84)37(77)29(74)22-93-57)50(90)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(104-61-47(87)42(82)40(80)32(21-72)98-61)53(102-60-46(86)41(81)39(79)31(20-71)97-60)49(89)54(103-63)56(91)105-58-45(85)38(78)30(75)23-94-58/h9,24-26,28-55,57-63,71-72,74-90H,10-23H2,1-8H3/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 | ROTCLWPEBOMZNQ-XWDNYKOASA-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 | UWVN1128 |