| SpectraBase Compound ID | GbncEFXQuki |
|---|---|
| InChI | InChI=1S/C70H114O34/c1-26-38(74)44(80)49(85)59(94-26)101-54-32(22-72)97-57(52(88)47(54)83)92-24-33-42(78)46(82)51(87)61(99-33)104-64(90)70-18-16-65(3,4)20-29(70)28-10-11-36-67(7)14-13-37(66(5,6)35(67)12-15-69(36,9)68(28,8)17-19-70)100-63-56(40(76)30(73)23-91-63)103-62-53(89)55(39(75)27(2)95-62)102-58-48(84)43(79)34(25-93-58)98-60-50(86)45(81)41(77)31(21-71)96-60/h10,26-27,29-63,71-89H,11-25H2,1-9H3/t26?,27-,29-,30-,31+,32+,33+,34+,35-,36+,37-,38+,39-,40-,41+,42+,43+,44-,45-,46-,47+,48+,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-,59+,60-,61-,62-,63-,67-,68+,69+,70-/m0/s1 |
| InChIKey | COIHWEMJSUDENE-HMSSQJRXSA-N |
| Mol Weight | 1499.6 g/mol |
| Molecular Formula | C70H114O34 |
| Exact Mass | 1498.719151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AWsKmO2MYZC |
|---|---|
| Name | ClEMATICHINENOSIDE-C;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-RIBOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-OLEANOLIC |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H114O34 |
| InChI | InChI=1S/C70H114O34/c1-26-38(74)44(80)49(85)59(94-26)101-54-32(22-72)97-57(52(88)47(54)83)92-24-33-42(78)46(82)51(87)61(99-33)104-64(90)70-18-16-65(3,4)20-29(70)28-10-11-36-67(7)14-13-37(66(5,6)35(67)12-15-69(36,9)68(28,8)17-19-70)100-63-56(40(76)30(73)23-91-63)103-62-53(89)55(39(75)27(2)95-62)102-58-48(84)43(79)34(25-93-58)98-60-50(86)45(81)41(77)31(21-71)96-60/h10,26-27,29-63,71-89H,11-25H2,1-9H3/t26?,27-,29-,30-,31+,32+,33+,34+,35-,36+,37-,38+,39-,40-,41+,42+,43+,44-,45-,46-,47+,48+,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-,59+,60-,61-,62-,63-,67-,68+,69+,70-/m0/s1 |
| InChIKey | COIHWEMJSUDENE-HMSSQJRXSA-N |
| Literature Reference Author | B.SHAO,G.QIN,R.XU,H.WU,K.MA |
| Literature Reference Citation | PHYTOCHEM.,42,821(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00875-6 |
| Molecular Weight | 1499.655 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU3607 |