![TACACOSIDE-A2;3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL]-BAYOGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[](/api/spectrum/yODLiN5XIM/structure.png?h=300&w=458 "TACACOSIDE-A2;3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL]-BAYOGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[")
| SpectraBase Compound ID | 6YCrkYRjdyw |
|---|---|
| InChI | InChI=1S/C69H112O35/c1-25-37(77)42(82)45(85)58(94-25)99-51-32(76)23-92-57(47(51)87)98-50-26(2)95-60(49(89)53(50)101-56-44(84)38(78)30(74)21-91-56)102-54-39(79)31(75)22-93-62(54)104-63(90)69-15-13-64(3,4)17-28(69)27-9-10-36-65(5)18-29(73)55(66(6,24-72)35(65)11-12-68(36,8)67(27,7)14-16-69)103-61-48(88)52(41(81)34(20-71)97-61)100-59-46(86)43(83)40(80)33(19-70)96-59/h9,25-26,28-62,70-89H,10-24H2,1-8H3/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-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67+,68+,69-/m0/s1 |
| InChIKey | LMHKFUJAONTLDV-GPZVZFSFSA-N |
| Mol Weight | 1501.6 g/mol |
| Molecular Formula | C69H112O35 |
| Exact Mass | 1500.698415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | yODLiN5XIM |
|---|---|
| Name | TACACOSIDE-A2;3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL]-BAYOGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[ |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H112O35 |
| InChI | InChI=1S/C69H112O35/c1-25-37(77)42(82)45(85)58(94-25)99-51-32(76)23-92-57(47(51)87)98-50-26(2)95-60(49(89)53(50)101-56-44(84)38(78)30(74)21-91-56)102-54-39(79)31(75)22-93-62(54)104-63(90)69-15-13-64(3,4)17-28(69)27-9-10-36-65(5)18-29(73)55(66(6,24-72)35(65)11-12-68(36,8)67(27,7)14-16-69)103-61-48(88)52(41(81)34(20-71)97-61)100-59-46(86)43(83)40(80)33(19-70)96-59/h9,25-26,28-62,70-89H,10-24H2,1-8H3/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-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67+,68+,69-/m0/s1 |
| InChIKey | LMHKFUJAONTLDV-GPZVZFSFSA-N |
| Literature Reference Author | V.H.CASTRO,E.RAMIREZ,G.A.MORA,Y.IWASE,T.NAGAO,H.OKABE,H.MATS UNAGA,M.KATANO,M.MOR |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,349(1997) |
| Literature Reference DOI | 10.1248/cpb.45.349 |
| Molecular Weight | 1501.627 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN28744 |