| SpectraBase Compound ID | 8V7tyRn5Jaj |
|---|---|
| InChI | InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-32(50)33(29(47)24(19-44)54-35)56-34-31(49)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22?,23?,24-,25?,26?,27+,28?,29-,30?,31?,32-,33+,34?,35+,38+,39+,40-,41-,42+/m1/s1 |
| InChIKey | XDOWLZLNKGBUOB-WJEGGYRISA-N |
| Mol Weight | 797.0 g/mol |
| Molecular Formula | C42H68O14 |
| Exact Mass | 796.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4w3rGH3wpEx |
|---|---|
| Name | SWARTZIADIOSIDE;HEDERAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O14 |
| InChI | InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-32(50)33(29(47)24(19-44)54-35)56-34-31(49)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22?,23?,24-,25?,26?,27+,28?,29-,30?,31?,32-,33+,34?,35+,38+,39+,40-,41-,42+/m1/s1 |
| InChIKey | XDOWLZLNKGBUOB-WJEGGYRISA-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 | 796.994 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU2258 |