![OLEANOLIC_ACID-3-O-[BETA-D-GALACTOPYRANOSL-(1->3)-BETA-D-GLUCURONOPYRANOSIDE];CALENDULOSIDE_G](/api/spectrum/Eso3fImI64h/structure.png?h=300&w=458 "OLEANOLIC_ACID-3-O-[BETA-D-GALACTOPYRANOSL-(1->3)-BETA-D-GLUCURONOPYRANOSIDE];CALENDULOSIDE_G")
| SpectraBase Compound ID | 9NxN714VrbI |
|---|---|
| InChI | InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26-,27-,28+,29-,30+,31-,32-,34-,35+,39?,40?,41?,42-/m0/s1 |
| InChIKey | BQPYEFAVIPEQIK-JPACNHJZSA-N |
| Mol Weight | 795.0 g/mol |
| Molecular Formula | C42H66O14 |
| Exact Mass | 794.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eso3fImI64h |
|---|---|
| Name | OLEANOLIC_ACID-3-O-[BETA-D-GALACTOPYRANOSL-(1->3)-BETA-D-GLUCURONOPYRANOSIDE];CALENDULOSIDE_G |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O14 |
| InChI | InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26-,27-,28+,29-,30+,31-,32-,34-,35+,39?,40?,41?,42-/m0/s1 |
| InChIKey | BQPYEFAVIPEQIK-JPACNHJZSA-N |
| Literature Reference Author | M.HU,K.OGAWA,Y.SASHIDA,P.G.XIAO |
| Literature Reference Citation | PHYTOCHEM.,39,179(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00902-6 |
| Molecular Weight | 794.978 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8983 |