| SpectraBase Compound ID | EJI71qofbMM |
|---|---|
| InChI | InChI=1S/C52H82O23/c1-47(2)14-15-52(46(67)75-43-35(62)33(60)32(59)25(18-53)70-43)22(16-47)21-8-9-27-49(5)12-11-29(48(3,4)26(49)10-13-50(27,6)51(21,7)17-28(52)56)71-44-37(64)38(36(63)39(73-44)41(65)66)72-45-40(31(58)24(55)20-69-45)74-42-34(61)30(57)23(54)19-68-42/h8,22-40,42-45,53-64H,9-20H2,1-7H3,(H,65,66)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-,37+,38-,39-,40+,42-,43-,44+,45-,49-,50+,51+,52+/m0/s1 |
| InChIKey | DIPDDQDKKVVWRH-ILKBLGRDSA-N |
| Mol Weight | 1075.2 g/mol |
| Molecular Formula | C52H82O23 |
| Exact Mass | 1074.524689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Djzb3z6sk5F |
|---|---|
| Name | GORDONOSIDE_L;3-O-ALPHA-L-ARABINOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL_ACACIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H82O23 |
| InChI | InChI=1S/C52H82O23/c1-47(2)14-15-52(46(67)75-43-35(62)33(60)32(59)25(18-53)70-43)22(16-47)21-8-9-27-49(5)12-11-29(48(3,4)26(49)10-13-50(27,6)51(21,7)17-28(52)56)71-44-37(64)38(36(63)39(73-44)41(65)66)72-45-40(31(58)24(55)20-69-45)74-42-34(61)30(57)23(54)19-68-42/h8,22-40,42-45,53-64H,9-20H2,1-7H3,(H,65,66)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-,37+,38-,39-,40+,42-,43-,44+,45-,49-,50+,51+,52+/m0/s1 |
| InChIKey | DIPDDQDKKVVWRH-ILKBLGRDSA-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 | 1075.209 g/mol |
| Sample ID | 38143 |
| Solvent | C5D5N |