![VACCAROSIDE-H;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-3-BETA,4-ALPHA-DIHYDROXY-23-NOROLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-XYL](/api/spectrum/DP3hXwgbW0w/structure.png?h=300&w=458 "VACCAROSIDE-H;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-3-BETA,4-ALPHA-DIHYDROXY-23-NOROLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-XYL")
| SpectraBase Compound ID | F6S2AUYhJl9 |
|---|---|
| InChI | InChI=1S/C65H102O32/c1-24-46(92-53-42(77)35(70)29(69)23-85-53)41(76)45(80)54(86-24)96-51-50(95-55-43(78)37(72)31(22-67)90-55)47(88-26(3)68)25(2)87-58(51)97-59(83)65-18-16-60(4,5)20-28(65)27-10-11-32-61(6)14-13-34(64(9,84)33(61)12-15-63(32,8)62(27,7)17-19-65)91-57-49(40(75)39(74)48(93-57)52(81)82)94-56-44(79)38(73)36(71)30(21-66)89-56/h10,24-25,28-51,53-58,66-67,69-80,84H,11-23H2,1-9H3,(H,81,82)/t24-,25+,28?,29-,30+,31+,32?,33?,34?,35+,36-,37+,38-,39-,40-,41-,42-,43-,44+,45+,46-,47-,48-,49+,50-,51+,53+,54-,55-,56-,57+,58-,61+,62+,63+,64-,65-/m0/s1 |
| InChIKey | SBIZKNGXUXXQOW-XSPUFMDCSA-N |
| Mol Weight | 1395.5 g/mol |
| Molecular Formula | C65H102O32 |
| Exact Mass | 1394.635421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DP3hXwgbW0w |
|---|---|
| Name | VACCAROSIDE-H;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-3-BETA,4-ALPHA-DIHYDROXY-23-NOROLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-XYL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H102O32 |
| InChI | InChI=1S/C65H102O32/c1-24-46(92-53-42(77)35(70)29(69)23-85-53)41(76)45(80)54(86-24)96-51-50(95-55-43(78)37(72)31(22-67)90-55)47(88-26(3)68)25(2)87-58(51)97-59(83)65-18-16-60(4,5)20-28(65)27-10-11-32-61(6)14-13-34(64(9,84)33(61)12-15-63(32,8)62(27,7)17-19-65)91-57-49(40(75)39(74)48(93-57)52(81)82)94-56-44(79)38(73)36(71)30(21-66)89-56/h10,24-25,28-51,53-58,66-67,69-80,84H,11-23H2,1-9H3,(H,81,82)/t24-,25+,28?,29-,30+,31+,32?,33?,34?,35+,36-,37+,38-,39-,40-,41-,42-,43-,44+,45+,46-,47-,48-,49+,50-,51+,53+,54-,55-,56-,57+,58-,61+,62+,63+,64-,65-/m0/s1 |
| InChIKey | SBIZKNGXUXXQOW-XSPUFMDCSA-N |
| Literature Reference Author | Z.JIA,K.KOIKE,M.KUDO,H.LI,T.NIKAIDO |
| Literature Reference Citation | PHYTOCHEM.,48,529(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01128-X |
| Molecular Weight | 1395.506 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1071 |