| SpectraBase Compound ID | JEI0QkoZ9DF |
|---|---|
| InChI | InChI=1S/C54H88O25/c1-49(2)11-13-54(48(71)79-46-40(69)37(66)33(62)28(76-46)20-72-44-38(67)35(64)31(60)25(17-55)73-44)14-12-52(5)22(23(54)15-49)7-8-30-50(3)16-24(59)43(51(4,21-58)29(50)9-10-53(30,52)6)78-47-41(70)42(34(63)27(19-57)75-47)77-45-39(68)36(65)32(61)26(18-56)74-45/h7,23-47,55-70H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44+,45-,46-,47-,50-,51-,52+,53+,54-/m0/s1 |
| InChIKey | KBYQLCZFYHHYKT-RMJISAPVSA-N |
| Mol Weight | 1137.3 g/mol |
| Molecular Formula | C54H88O25 |
| Exact Mass | 1136.561468 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 93CBm4o5pNe |
|---|---|
| Name | ASTERBATANOSIDE-H;#3;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-BAYOGENIN-28-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O25 |
| InChI | InChI=1S/C54H88O25/c1-49(2)11-13-54(48(71)79-46-40(69)37(66)33(62)28(76-46)20-72-44-38(67)35(64)31(60)25(17-55)73-44)14-12-52(5)22(23(54)15-49)7-8-30-50(3)16-24(59)43(51(4,21-58)29(50)9-10-53(30,52)6)78-47-41(70)42(34(63)27(19-57)75-47)77-45-39(68)36(65)32(61)26(18-56)74-45/h7,23-47,55-70H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44+,45-,46-,47-,50-,51-,52+,53+,54-/m0/s1 |
| InChIKey | KBYQLCZFYHHYKT-RMJISAPVSA-N |
| Literature Reference Author | Y.SHAO,B.N.ZHOU,L.Z.LIN,G.A.CORDELL |
| Literature Reference Citation | PHYTOCHEM.,38,927(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00744-E |
| Molecular Weight | 1137.278 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS3795 |