![TACACOSIDE-A1;3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL]-BAYOGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-B](/api/spectrum/9HVq5SpuGqG/structure.png?h=300&w=458 "TACACOSIDE-A1;3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL]-BAYOGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-B")
| SpectraBase Compound ID | DZl3XBncIOO |
|---|---|
| InChI | InChI=1S/C69H112O35/c1-26-37(77)41(81)43(83)56(94-26)99-49-32(76)22-91-55(45(49)85)98-48-27(2)95-58(47(87)51(48)101-61-53(88)69(90,24-73)25-93-61)102-52-38(78)31(75)21-92-60(52)104-62(89)68-15-13-63(3,4)17-29(68)28-9-10-36-64(5)18-30(74)54(65(6,23-72)35(64)11-12-67(36,8)66(28,7)14-16-68)103-59-46(86)50(40(80)34(20-71)97-59)100-57-44(84)42(82)39(79)33(19-70)96-57/h9,26-27,29-61,70-88,90H,10-25H2,1-8H3/t26-,27-,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-,64-,65-,66+,67+,68-,69+/m0/s1 |
| InChIKey | JSJJUWYDWWCPIF-MPNJLZKOSA-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 | 9HVq5SpuGqG |
|---|---|
| Name | TACACOSIDE-A1;3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL]-BAYOGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H112O35 |
| InChI | InChI=1S/C69H112O35/c1-26-37(77)41(81)43(83)56(94-26)99-49-32(76)22-91-55(45(49)85)98-48-27(2)95-58(47(87)51(48)101-61-53(88)69(90,24-73)25-93-61)102-52-38(78)31(75)21-92-60(52)104-62(89)68-15-13-63(3,4)17-29(68)28-9-10-36-64(5)18-30(74)54(65(6,23-72)35(64)11-12-67(36,8)66(28,7)14-16-68)103-59-46(86)50(40(80)34(20-71)97-59)100-57-44(84)42(82)39(79)33(19-70)96-57/h9,26-27,29-61,70-88,90H,10-25H2,1-8H3/t26-,27-,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-,64-,65-,66+,67+,68-,69+/m0/s1 |
| InChIKey | JSJJUWYDWWCPIF-MPNJLZKOSA-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 | UWVN28743 |