| SpectraBase Compound ID | ApX1mxTGfM0 |
|---|---|
| InChI | InChI=1S/C53H84O24/c1-48(2)13-15-53(47(69)77-45-39(65)36(62)33(59)27(74-45)21-71-43-40(66)41(34(60)26(19-55)72-43)76-44-38(64)35(61)32(58)25(18-54)73-44)16-14-50(4)22(23(53)17-48)7-8-28-49(3)11-10-30(75-42-37(63)31(57)24(56)20-70-42)52(6,46(67)68)29(49)9-12-51(28,50)5/h7,23-45,54-66H,8-21H2,1-6H3,(H,67,68)/t23?,24-,25+,26+,27+,28?,29?,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-,43+,44-,45-,49+,50+,51+,52-,53-/m0/s1 |
| InChIKey | FOBVJJWYZKIPTA-IBKCZLNNSA-N |
| Mol Weight | 1105.2 g/mol |
| Molecular Formula | C53H84O24 |
| Exact Mass | 1104.535254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3MXCCggWnDq |
|---|---|
| Name | CHIONAEOSIDE_A;3-O-ALPHA-L-ARABINOPYRANOSYLGYPSOGENIC_ACID_28-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O24 |
| InChI | InChI=1S/C53H84O24/c1-48(2)13-15-53(47(69)77-45-39(65)36(62)33(59)27(74-45)21-71-43-40(66)41(34(60)26(19-55)72-43)76-44-38(64)35(61)32(58)25(18-54)73-44)16-14-50(4)22(23(53)17-48)7-8-28-49(3)11-10-30(75-42-37(63)31(57)24(56)20-70-42)52(6,46(67)68)29(49)9-12-51(28,50)5/h7,23-45,54-66H,8-21H2,1-6H3,(H,67,68)/t23?,24-,25+,26+,27+,28?,29?,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-,43+,44-,45-,49+,50+,51+,52-,53-/m0/s1 |
| InChIKey | FOBVJJWYZKIPTA-IBKCZLNNSA-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 | 1105.236 g/mol |
| Sample ID | 31101 |
| Solvent | C5D5N |