![11-ALPHA,16-BETA,23,28-TETRAHYDROXYOLEAN-12-EN-3-BETA-YL-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-FUCOPYRANOSIDE](/api/spectrum/JADP5SFqQ4X/structure.png?h=300&w=458 "11-ALPHA,16-BETA,23,28-TETRAHYDROXYOLEAN-12-EN-3-BETA-YL-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-FUCOPYRANOSIDE")
| SpectraBase Compound ID | WKk9mtPc9V |
|---|---|
| InChI | InChI=1S/C48H80O19/c1-21-30(55)37(66-40-35(60)33(58)31(56)25(17-49)63-40)38(67-41-36(61)34(59)32(57)26(18-50)64-41)42(62-21)65-29-9-10-44(4)27(45(29,5)19-51)8-11-46(6)39(44)24(53)14-22-23-15-43(2,3)12-13-48(23,20-52)28(54)16-47(22,46)7/h14,21,23-42,49-61H,8-13,15-20H2,1-7H3/t21-,23?,24+,25-,26+,27?,28-,29-,30+,31-,32+,33+,34-,35-,36+,37+,38-,39?,40+,41-,42+,44-,45-,46+,47+,48+/m0/s1 |
| InChIKey | GDRYZAWSKFMLSN-VDYSJBINSA-N |
| Mol Weight | 961.1 g/mol |
| Molecular Formula | C48H80O19 |
| Exact Mass | 960.52938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JADP5SFqQ4X |
|---|---|
| Name | 11-ALPHA,16-BETA,23,28-TETRAHYDROXYOLEAN-12-EN-3-BETA-YL-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-FUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H80O19 |
| InChI | InChI=1S/C48H80O19/c1-21-30(55)37(66-40-35(60)33(58)31(56)25(17-49)63-40)38(67-41-36(61)34(59)32(57)26(18-50)64-41)42(62-21)65-29-9-10-44(4)27(45(29,5)19-51)8-11-46(6)39(44)24(53)14-22-23-15-43(2,3)12-13-48(23,20-52)28(54)16-47(22,46)7/h14,21,23-42,49-61H,8-13,15-20H2,1-7H3/t21-,23?,24+,25-,26+,27?,28-,29-,30+,31-,32+,33+,34-,35-,36+,37+,38-,39?,40+,41-,42+,44-,45-,46+,47+,48+/m0/s1 |
| InChIKey | GDRYZAWSKFMLSN-VDYSJBINSA-N |
| Literature Reference Author | L.PISTELLI,A.R.BILIA,A.MARSILI,N.DETOMMASI,A.MANUNTA |
| Literature Reference Citation | J.NAT.PROD.,56,240(1993) |
| Literature Reference DOI | 10.1021/np50092a009 |
| Molecular Weight | 961.152 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWTS1068 |