| SpectraBase Compound ID | 8NYe5QkIXE9 |
|---|---|
| InChI | InChI=1S/C43H68O14/c1-38(2)15-17-43(37(51)52)18-16-41(6)21(22(43)19-38)9-10-25-40(5)13-12-26(39(3,4)24(40)11-14-42(25,41)7)55-36-31(49)32(30(48)33(57-36)34(50)53-8)56-35-29(47)28(46)27(45)23(20-44)54-35/h9,22-33,35-36,44-49H,10-20H2,1-8H3,(H,51,52)/t22-,23+,24-,25+,26-,27-,28-,29+,30-,31+,32-,33-,35-,36+,40?,41?,42?,43-/m0/s1 |
| InChIKey | LZWQMJKDWBMYDJ-WOMAPHFASA-N |
| Mol Weight | 809.0 g/mol |
| Molecular Formula | C43H68O14 |
| Exact Mass | 808.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPmckNppEvF |
|---|---|
| Name | OLEANOLIC_ACID-3-O-[BETA-D-GALACTOPYRANOSL-(1->3)-BETA-D-GLUCURONOPYRANOSIDE-6-O-METHYLESTER];CALENDULOSIDE_G_METHYLESTER |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H68O14 |
| InChI | InChI=1S/C43H68O14/c1-38(2)15-17-43(37(51)52)18-16-41(6)21(22(43)19-38)9-10-25-40(5)13-12-26(39(3,4)24(40)11-14-42(25,41)7)55-36-31(49)32(30(48)33(57-36)34(50)53-8)56-35-29(47)28(46)27(45)23(20-44)54-35/h9,22-33,35-36,44-49H,10-20H2,1-8H3,(H,51,52)/t22-,23+,24-,25+,26-,27-,28-,29+,30-,31+,32-,33-,35-,36+,40?,41?,42?,43-/m0/s1 |
| InChIKey | LZWQMJKDWBMYDJ-WOMAPHFASA-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 | 809.005 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8984 |