| SpectraBase Compound ID | 65rVTNyJRRq |
|---|---|
| InChI | InChI=1S/C61H96O27/c1-12-24(2)51(78)88-48-49(80-26(4)65)61(23-64)28(19-56(48,5)6)27-13-14-32-58(9)17-16-34(57(7,8)31(58)15-18-59(32,10)60(27,11)20-33(61)66)83-55-47(87-53-42(74)39(71)36(68)29(21-62)81-53)44(43(75)45(85-55)50(76)77)84-54-46(40(72)37(69)30(22-63)82-54)86-52-41(73)38(70)35(67)25(3)79-52/h12-13,25,28-49,52-55,62-64,66-75H,14-23H2,1-11H3,(H,76,77)/b24-12+/t25-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49-,52-,53+,54-,55+,58-,59+,60+,61-/m0/s1 |
| InChIKey | VAOZQNXEXFTFMU-VZPKECOSSA-N |
| Mol Weight | 1261.4 g/mol |
| Molecular Formula | C61H96O27 |
| Exact Mass | 1260.613898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAOBjhhMa2I |
|---|---|
| Name | JEGOSAPONIN-A;BARRINGTOGENOL-C-21-O-TIGLOYL-22-O-ACETYL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H96O27 |
| InChI | InChI=1S/C61H96O27/c1-12-24(2)51(78)88-48-49(80-26(4)65)61(23-64)28(19-56(48,5)6)27-13-14-32-58(9)17-16-34(57(7,8)31(58)15-18-59(32,10)60(27,11)20-33(61)66)83-55-47(87-53-42(74)39(71)36(68)29(21-62)81-53)44(43(75)45(85-55)50(76)77)84-54-46(40(72)37(69)30(22-63)82-54)86-52-41(73)38(70)35(67)25(3)79-52/h12-13,25,28-49,52-55,62-64,66-75H,14-23H2,1-11H3,(H,76,77)/b24-12+/t25-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49-,52-,53+,54-,55+,58-,59+,60+,61-/m0/s1 |
| InChIKey | VAOZQNXEXFTFMU-VZPKECOSSA-N |
| Literature Reference Author | K.YOSHIKAWA,H.HIRAI,M.TANAKA,S.ARIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,1093(2000) |
| Literature Reference DOI | 10.1248/cpb.48.1093 |
| Molecular Weight | 1261.417 g/mol |
| Solvent | C5D5N:CD3OD=1:1 |
| Source File Reference | UWVN4416 |