| SpectraBase Compound ID | DdoV8LwwCjG |
|---|---|
| InChI | InChI=1S/C47H74O19/c1-42(2)13-15-47(41(60)66-39-36(57)33(54)31(52)25(64-39)20-62-37-35(56)32(53)30(51)24(18-48)63-37)16-14-44(4)21(22(47)17-42)7-8-26-43(3)11-10-28(65-38-34(55)29(50)23(49)19-61-38)46(6,40(58)59)27(43)9-12-45(26,44)5/h7,22-39,48-57H,8-20H2,1-6H3,(H,58,59)/t22?,23-,24+,25+,26?,27?,28-,29-,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,43+,44+,45+,46-,47-/m0/s1 |
| InChIKey | QCEPMQSWPIBYMJ-WYOZDEPKSA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C47H74O19 |
| Exact Mass | 942.48243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9P2Aj8k9lVL |
|---|---|
| Name | CHIONAEOSIDE_B;3-O-ALPHA-L-ARABINOPYRANOSYLGYPSOGENIC_ACID_28-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O19 |
| InChI | InChI=1S/C47H74O19/c1-42(2)13-15-47(41(60)66-39-36(57)33(54)31(52)25(64-39)20-62-37-35(56)32(53)30(51)24(18-48)63-37)16-14-44(4)21(22(47)17-42)7-8-26-43(3)11-10-28(65-38-34(55)29(50)23(49)19-61-38)46(6,40(58)59)27(43)9-12-45(26,44)5/h7,22-39,48-57H,8-20H2,1-6H3,(H,58,59)/t22?,23-,24+,25+,26?,27?,28-,29-,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,43+,44+,45+,46-,47-/m0/s1 |
| InChIKey | QCEPMQSWPIBYMJ-WYOZDEPKSA-N |
| Literature Reference Author | S.AVUNDUK,M.A.LACAILLE-DUBOIS,T.MIYAMOTO,E.BEDIR,S.G.SENOL,O .A.CALISKAN |
| Literature Reference Citation | J.NAT.PROD.,70,1830(2007) |
| Literature Reference DOI | 10.1021/np0704607 |
| Molecular Weight | 943.093 g/mol |
| Sample ID | 31102 |
| Solvent | C5D5N |