| SpectraBase Compound ID | 7VVmqQuY7NP |
|---|---|
| InChI | InChI=1S/C59H96O27/c1-23-11-16-59(53(75)86-52-46(85-50-42(72)37(67)33(63)24(2)79-50)40(70)36(66)29(82-52)22-78-48-41(71)38(68)34(64)27(19-60)80-48)18-17-56(6)25(47(59)58(23,8)76)9-10-31-55(5)14-13-32(54(3,4)30(55)12-15-57(31,56)7)83-49-44(74)45(26(62)21-77-49)84-51-43(73)39(69)35(65)28(20-61)81-51/h9,23-24,26-52,60-74,76H,10-22H2,1-8H3/t23-,24+,26+,27-,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+,55+,56-,57-,58-,59+/m1/s1 |
| InChIKey | GMQPXRFFFZAJOW-GVMQPAASSA-N |
| Mol Weight | 1237.4 g/mol |
| Molecular Formula | C59H96O27 |
| Exact Mass | 1236.613898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9n5Ek5vurq |
|---|---|
| Name | #3;ILEXOSIDE-XI;POMOLIC-ACID-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSYL-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H96O27 |
| InChI | InChI=1S/C59H96O27/c1-23-11-16-59(53(75)86-52-46(85-50-42(72)37(67)33(63)24(2)79-50)40(70)36(66)29(82-52)22-78-48-41(71)38(68)34(64)27(19-60)80-48)18-17-56(6)25(47(59)58(23,8)76)9-10-31-55(5)14-13-32(54(3,4)30(55)12-15-57(31,56)7)83-49-44(74)45(26(62)21-77-49)84-51-43(73)39(69)35(65)28(20-61)81-51/h9,23-24,26-52,60-74,76H,10-22H2,1-8H3/t23-,24+,26+,27-,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+,55+,56-,57-,58-,59+/m1/s1 |
| InChIKey | GMQPXRFFFZAJOW-GVMQPAASSA-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 | 1237.395 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS27129 |