| SpectraBase Compound ID | Cj22pjhMGOV |
|---|---|
| InChI | InChI=1S/C53H86O23/c1-22-10-15-53(47(67)76-46-39(65)36(62)33(59)27(73-46)21-70-43-37(63)34(60)31(57)25(18-54)71-43)17-16-50(5)23(42(53)52(22,7)68)8-9-29-49(4)13-12-30(48(2,3)28(49)11-14-51(29,50)6)74-44-40(66)41(24(56)20-69-44)75-45-38(64)35(61)32(58)26(19-55)72-45/h8,22,24-46,54-66,68H,9-21H2,1-7H3/t22-,24+,25-,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+,42-,43-,44+,45+,46+,49?,50?,51?,52-,53+/m1/s1 |
| InChIKey | NNYWYLBBNFBBBG-AVWVYDLNSA-N |
| Mol Weight | 1091.2 g/mol |
| Molecular Formula | C53H86O23 |
| Exact Mass | 1090.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | pNEGD16AcM |
|---|---|
| Name | #11;ILEXOSIDE-VIII;POMOLIC-ACID-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSYL-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 | C53H86O23 |
| InChI | InChI=1S/C53H86O23/c1-22-10-15-53(47(67)76-46-39(65)36(62)33(59)27(73-46)21-70-43-37(63)34(60)31(57)25(18-54)71-43)17-16-50(5)23(42(53)52(22,7)68)8-9-29-49(4)13-12-30(48(2,3)28(49)11-14-51(29,50)6)74-44-40(66)41(24(56)20-69-44)75-45-38(64)35(61)32(58)26(19-55)72-45/h8,22,24-46,54-66,68H,9-21H2,1-7H3/t22-,24+,25-,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+,42-,43-,44+,45+,46+,49?,50?,51?,52-,53+/m1/s1 |
| InChIKey | NNYWYLBBNFBBBG-AVWVYDLNSA-N |
| Literature Reference Author | T.KAKUNO,K.YSHIKAWA,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,31,3553(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83726-F |
| Molecular Weight | 1091.252 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS27137 |