| SpectraBase Compound ID | 5rN0X06gKrn |
|---|---|
| InChI | InChI=1S/C53H84O23/c1-21-30(57)33(60)35(62)43(70-21)75-41-31(58)24(55)20-69-46(41)73-39-37(64)40(42(66)67)74-45(38(39)65)72-29-12-13-50(6)26(49(29,4)5)11-14-51(7)27(50)10-9-22-23-17-48(2,3)15-16-53(23,28(56)18-52(22,51)8)47(68)76-44-36(63)34(61)32(59)25(19-54)71-44/h9,21,23-41,43-46,54-65H,10-20H2,1-8H3,(H,66,67)/t21-,23-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,43-,44-,45+,46-,50-,51+,52+,53+/m0/s1 |
| InChIKey | PNVAFUMGIGXLFN-IJUOOPMQSA-N |
| Mol Weight | 1089.2 g/mol |
| Molecular Formula | C53H84O23 |
| Exact Mass | 1088.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Op9mzEtCq4 |
|---|---|
| Name | GORDONOSIDE_M;3-O-ALPHA-L-ARABINOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYLACACIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O23 |
| InChI | InChI=1S/C53H84O23/c1-21-30(57)33(60)35(62)43(70-21)75-41-31(58)24(55)20-69-46(41)73-39-37(64)40(42(66)67)74-45(38(39)65)72-29-12-13-50(6)26(49(29,4)5)11-14-51(7)27(50)10-9-22-23-17-48(2,3)15-16-53(23,28(56)18-52(22,51)8)47(68)76-44-36(63)34(61)32(59)25(19-54)71-44/h9,21,23-41,43-46,54-65H,10-20H2,1-8H3,(H,66,67)/t21-,23-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,43-,44-,45+,46-,50-,51+,52+,53+/m0/s1 |
| InChIKey | PNVAFUMGIGXLFN-IJUOOPMQSA-N |
| Literature Reference Author | H.Z.FU,C.J.LI,J.Z.YANG,Z.F.SHEN,D.M.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,74,1066(2011) |
| Literature Reference DOI | 10.1021/np200021f |
| Molecular Weight | 1089.236 g/mol |
| Sample ID | 38144 |
| Solvent | C5D5N |