| SpectraBase Compound ID | JQBAoaeyFPa |
|---|---|
| InChI | InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-35-32(49)33(29(46)24(20-44)53-35)55-34-31(48)30(47)28(45)23(19-43)52-34/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)/t22?,23?,24-,25?,26?,27+,28?,29-,30?,31?,32-,33+,34?,35+,39+,40-,41-,42+/m1/s1 |
| InChIKey | KZIQZLSHACGNHX-HCWGVWJGSA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C42H68O13 |
| Exact Mass | 780.465992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EM4j6LW4cK2 |
|---|---|
| Name | RANDIANIN;OLEANOLIC-ACID-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O13 |
| InChI | InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-35-32(49)33(29(46)24(20-44)53-35)55-34-31(48)30(47)28(45)23(19-43)52-34/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)/t22?,23?,24-,25?,26?,27+,28?,29-,30?,31?,32-,33+,34?,35+,39+,40-,41-,42+/m1/s1 |
| InChIKey | KZIQZLSHACGNHX-HCWGVWJGSA-N |
| Literature Reference Author | M.S.ABDEL-KADER,B.D.BAHLER,S.MALONE,M.C.M.WERKHOVEN,J.H.WISS E,K.M.NEDDERMANN,I.B |
| Literature Reference Citation | J.NAT.PROD.,63,1461(2000) |
| Literature Reference DOI | 10.1021/np0000926 |
| Molecular Weight | 780.994 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU2257 |