![TUBEROSIDE-C;3-O-BETA-[XYLOPYRANOSYL-(1->2)-[GLUCOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-HEDERAGENIN-28-O-GLUCOPYRANOSYLESTER](/api/spectrum/97qb7wgRtCc/structure.png?h=300&w=458 "TUBEROSIDE-C;3-O-BETA-[XYLOPYRANOSYL-(1->2)-[GLUCOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-HEDERAGENIN-28-O-GLUCOPYRANOSYLESTER")
| SpectraBase Compound ID | KaAEpSYyES4 |
|---|---|
| InChI | InChI=1S/C53H84O24/c1-48(2)13-15-53(47(69)77-45-37(65)34(62)32(60)26(19-55)72-45)16-14-51(5)22(23(53)17-48)7-8-28-49(3)11-10-29(50(4,21-56)27(49)9-12-52(28,51)6)73-46-40(75-43-35(63)30(58)24(57)20-70-43)38(66)39(41(76-46)42(67)68)74-44-36(64)33(61)31(59)25(18-54)71-44/h7,23-41,43-46,54-66H,8-21H2,1-6H3,(H,67,68)/t23?,24-,25+,26-,27?,28?,29+,30+,31+,32-,33-,34+,35-,36+,37-,38+,39+,40-,41+,43+,44-,45+,46-,49+,50+,51-,52-,53+/m1/s1 |
| InChIKey | BLVIPBBMPJFHFA-XUGGFDEUSA-N |
| Mol Weight | 1105.2 g/mol |
| Molecular Formula | C53H84O24 |
| Exact Mass | 1104.535254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97qb7wgRtCc |
|---|---|
| Name | TUBEROSIDE-C;3-O-BETA-[XYLOPYRANOSYL-(1->2)-[GLUCOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-HEDERAGENIN-28-O-GLUCOPYRANOSYLESTER |
| Compound Number | 185 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O24 |
| InChI | InChI=1S/C53H84O24/c1-48(2)13-15-53(47(69)77-45-37(65)34(62)32(60)26(19-55)72-45)16-14-51(5)22(23(53)17-48)7-8-28-49(3)11-10-29(50(4,21-56)27(49)9-12-52(28,51)6)73-46-40(75-43-35(63)30(58)24(57)20-70-43)38(66)39(41(76-46)42(67)68)74-44-36(64)33(61)31(59)25(18-54)71-44/h7,23-41,43-46,54-66H,8-21H2,1-6H3,(H,67,68)/t23?,24-,25+,26-,27?,28?,29+,30+,31+,32-,33-,34+,35-,36+,37-,38+,39+,40-,41+,43+,44-,45+,46-,49+,50+,51-,52-,53+/m1/s1 |
| InChIKey | BLVIPBBMPJFHFA-XUGGFDEUSA-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 | 1105.236 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1147 |