| SpectraBase Compound ID | 2FoCUdAiJTe |
|---|---|
| InChI | InChI=1S/C58H86O20/c1-30-47(61)52(69-11)48(62)53(73-30)78-51-33(4)72-46(28-40(51)68-10)77-50-32(3)71-45(27-39(50)67-9)76-49-31(2)70-44(26-38(49)66-8)74-37-20-21-54(6)36(25-37)19-22-57(64)41(54)29-42(75-43(60)18-17-35-15-13-12-14-16-35)55(7)56(63,34(5)59)23-24-58(55,57)65/h12-19,30-33,37-42,44-53,61-65H,20-29H2,1-11H3/b18-17+/t30?,31?,32?,33?,37-,38-,39+,40-,41+,42+,44-,45+,46-,47-,48-,49+,50-,51+,52+,53+,54-,55+,56+,57-,58+/m0/s1 |
| InChIKey | ROCQRTLTAPQWRP-GSLOFHFJSA-N |
| Mol Weight | 1103.3 g/mol |
| Molecular Formula | C58H86O20 |
| Exact Mass | 1102.571245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6AOxhe10ESk |
|---|---|
| Name | KIDJOLANIN-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H86O20 |
| InChI | InChI=1S/C58H86O20/c1-30-47(61)52(69-11)48(62)53(73-30)78-51-33(4)72-46(28-40(51)68-10)77-50-32(3)71-45(27-39(50)67-9)76-49-31(2)70-44(26-38(49)66-8)74-37-20-21-54(6)36(25-37)19-22-57(64)41(54)29-42(75-43(60)18-17-35-15-13-12-14-16-35)55(7)56(63,34(5)59)23-24-58(55,57)65/h12-19,30-33,37-42,44-53,61-65H,20-29H2,1-11H3/b18-17+/t30?,31?,32?,33?,37-,38-,39+,40-,41+,42+,44-,45+,46-,47-,48-,49+,50-,51+,52+,53+,54-,55+,56+,57-,58+/m0/s1 |
| InChIKey | ROCQRTLTAPQWRP-GSLOFHFJSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1036(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1036 |
| Molecular Weight | 1103.309 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20261 |