![VACCAROSIDE-F;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-3-BETA,4-ALPHA,16-ALPHA-TRIHYDROXY-23-NOROLEAN-12-EN-28-OIC-ACID-28-O-](/api/spectrum/4odttDYbd7o/structure.png?h=300&w=458 "VACCAROSIDE-F;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-3-BETA,4-ALPHA,16-ALPHA-TRIHYDROXY-23-NOROLEAN-12-EN-28-OIC-ACID-28-O-")
| SpectraBase Compound ID | 4wajLCIG1rY |
|---|---|
| InChI | InChI=1S/C65H102O33/c1-23-46(93-53-42(78)35(71)28(69)22-86-53)41(77)45(81)54(87-23)97-51-50(96-55-43(79)37(73)30(21-67)91-55)47(89-25(3)68)24(2)88-58(51)98-59(84)65-17-16-60(4,5)18-27(65)26-10-11-31-61(6)14-13-34(64(9,85)32(61)12-15-62(31,7)63(26,8)19-33(65)70)92-57-49(40(76)39(75)48(94-57)52(82)83)95-56-44(80)38(74)36(72)29(20-66)90-56/h10,23-24,27-51,53-58,66-67,69-81,85H,11-22H2,1-9H3,(H,82,83)/t23-,24+,27?,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 | DDFFZNFTWJEAGC-UPDUKNRQSA-N |
| Mol Weight | 1411.5 g/mol |
| Molecular Formula | C65H102O33 |
| Exact Mass | 1410.630336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4odttDYbd7o |
|---|---|
| Name | VACCAROSIDE-F;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-3-BETA,4-ALPHA,16-ALPHA-TRIHYDROXY-23-NOROLEAN-12-EN-28-OIC-ACID-28-O- |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H102O33 |
| InChI | InChI=1S/C65H102O33/c1-23-46(93-53-42(78)35(71)28(69)22-86-53)41(77)45(81)54(87-23)97-51-50(96-55-43(79)37(73)30(21-67)91-55)47(89-25(3)68)24(2)88-58(51)98-59(84)65-17-16-60(4,5)18-27(65)26-10-11-31-61(6)14-13-34(64(9,85)32(61)12-15-62(31,7)63(26,8)19-33(65)70)92-57-49(40(76)39(75)48(94-57)52(82)83)95-56-44(80)38(74)36(72)29(20-66)90-56/h10,23-24,27-51,53-58,66-67,69-81,85H,11-22H2,1-9H3,(H,82,83)/t23-,24+,27?,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 | DDFFZNFTWJEAGC-UPDUKNRQSA-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 | 1411.505 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1069 |