![BERNARDIOSIDE-B2;2-BETA,3-BETA,23-TRIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-ALPHA-L-RHA-(1->2)-[BETA-D-GLU-(1->6)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/92rHl1Z76vQ/structure.png?h=300&w=458 "BERNARDIOSIDE-B2;2-BETA,3-BETA,23-TRIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-ALPHA-L-RHA-(1->2)-[BETA-D-GLU-(1->6)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 8oGcqafkolu |
|---|---|
| InChI | InChI=1S/C48H78O19/c1-21-29(52)32(55)36(59)40(63-21)66-37-34(57)31(54)26(19-62-39-35(58)33(56)30(53)25(18-49)64-39)65-41(37)67-42(61)48-14-12-43(2,3)16-23(48)22-8-9-28-44(4)17-24(51)38(60)45(5,20-50)27(44)10-11-47(28,7)46(22,6)13-15-48/h8,21,23-41,49-60H,9-20H2,1-7H3/t21-,23?,24-,25+,26+,27?,28?,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1 |
| InChIKey | IIIAVFHGMSMZIN-LINMSJFNSA-N |
| Mol Weight | 959.1 g/mol |
| Molecular Formula | C48H78O19 |
| Exact Mass | 958.51373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92rHl1Z76vQ |
|---|---|
| Name | BERNARDIOSIDE-B2;2-BETA,3-BETA,23-TRIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-ALPHA-L-RHA-(1->2)-[BETA-D-GLU-(1->6)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O19 |
| InChI | InChI=1S/C48H78O19/c1-21-29(52)32(55)36(59)40(63-21)66-37-34(57)31(54)26(19-62-39-35(58)33(56)30(53)25(18-49)64-39)65-41(37)67-42(61)48-14-12-43(2,3)16-23(48)22-8-9-28-44(4)17-24(51)38(60)45(5,20-50)27(44)10-11-47(28,7)46(22,6)13-15-48/h8,21,23-41,49-60H,9-20H2,1-7H3/t21-,23?,24-,25+,26+,27?,28?,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1 |
| InChIKey | IIIAVFHGMSMZIN-LINMSJFNSA-N |
| Literature Reference Author | T.SCHOEPKE,H.THIELE,K.HILLER,V.WRAY,M.NIMTZ |
| Literature Reference Citation | J.NAT.PROD.,59,939(1996) |
| Literature Reference DOI | 10.1021/np960400t |
| Molecular Weight | 959.136 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP741 |