![3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL]-28-O-[BETA-D-GLUCOPYRANOSYL]-3-BETA-HYDROXYOLEAN-12-EN-28-OATE](/api/spectrum/IYUMql0ISwI/structure.png?h=300&w=458 "3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL]-28-O-[BETA-D-GLUCOPYRANOSYL]-3-BETA-HYDROXYOLEAN-12-EN-28-OATE")
| SpectraBase Compound ID | BHCbV7brJy8 |
|---|---|
| InChI | InChI=1S/C48H76O18/c1-21-28(50)30(52)32(54)39(61-21)64-36-34(56)37(38(58)59)65-41(35(36)57)63-27-12-13-45(6)25(44(27,4)5)11-14-47(8)26(45)10-9-22-23-19-43(2,3)15-17-48(23,18-16-46(22,47)7)42(60)66-40-33(55)31(53)29(51)24(20-49)62-40/h9,21,23-37,39-41,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,23?,24+,25?,26?,27-,28-,29+,30+,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
| InChIKey | LBHYRBPEXITYTN-BXXHOHQTSA-N |
| Mol Weight | 941.1 g/mol |
| Molecular Formula | C48H76O18 |
| Exact Mass | 940.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYUMql0ISwI |
|---|---|
| Name | 3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL]-28-O-[BETA-D-GLUCOPYRANOSYL]-3-BETA-HYDROXYOLEAN-12-EN-28-OATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O18 |
| InChI | InChI=1S/C48H76O18/c1-21-28(50)30(52)32(54)39(61-21)64-36-34(56)37(38(58)59)65-41(35(36)57)63-27-12-13-45(6)25(44(27,4)5)11-14-47(8)26(45)10-9-22-23-19-43(2,3)15-17-48(23,18-16-46(22,47)7)42(60)66-40-33(55)31(53)29(51)24(20-49)62-40/h9,21,23-37,39-41,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,23?,24+,25?,26?,27-,28-,29+,30+,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
| InChIKey | LBHYRBPEXITYTN-BXXHOHQTSA-N |
| Literature Reference Author | O.P.SATI,S.BAHUGUNA,S.UNIYAL,J.SAKAKIBARA,T.KAIYA,A.NAKAMURA |
| Literature Reference Citation | J.NAT.PROD.,53,466(1990) |
| Literature Reference DOI | 10.1021/np50068a029 |
| Molecular Weight | 941.121 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS13255 |