| SpectraBase Compound ID | KONfD63LDgW |
|---|---|
| InChI | InChI=1S/C42H66O13/c1-37(2)15-17-42(36(50)55-34-30(47)27(44)23(43)20-52-34)18-16-40(6)21(22(42)19-37)9-10-25-39(5)13-12-26(38(3,4)24(39)11-14-41(25,40)7)53-35-31(48)28(45)29(46)32(54-35)33(49)51-8/h9,22-32,34-35,43-48H,10-20H2,1-8H3/t22?,23-,24?,25?,26-,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42-/m0/s1 |
| InChIKey | BUUCTXRJQOCVJX-HHWAVGNNSA-N |
| Mol Weight | 779.0 g/mol |
| Molecular Formula | C42H66O13 |
| Exact Mass | 778.450342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ABUd1wOL4R |
|---|---|
| Name | SCABEROSIDE-B1;3-O-BETA-(6-O-METHYL)-GLUCURONOPYRANOSYL-OLEANOLIC-ACID-28-O-ARABINOPYRANOSYLESTER |
| Compound Number | 36 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O13 |
| InChI | InChI=1S/C42H66O13/c1-37(2)15-17-42(36(50)55-34-30(47)27(44)23(43)20-52-34)18-16-40(6)21(22(42)19-37)9-10-25-39(5)13-12-26(38(3,4)24(39)11-14-41(25,40)7)53-35-31(48)28(45)29(46)32(54-35)33(49)51-8/h9,22-32,34-35,43-48H,10-20H2,1-8H3/t22?,23-,24?,25?,26-,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42-/m0/s1 |
| InChIKey | BUUCTXRJQOCVJX-HHWAVGNNSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 778.978 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1230 |