| SpectraBase Compound ID | FLKU3aDaphc |
|---|---|
| InChI | InChI=1S/C47H72O20/c1-42(2)11-13-47(41(61)67-39-31(56)29(54)28(53)24(17-48)63-39)14-12-45(5)20(21(47)15-42)7-8-26-43(3)16-22(50)36(44(4,19-49)25(43)9-10-46(26,45)6)66-40-33(58)34(32(57)35(65-40)37(59)60)64-38-30(55)27(52)23(51)18-62-38/h7,19,21-36,38-40,48,50-58H,8-18H2,1-6H3,(H,59,60)/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30+,31+,32-,33+,34-,35-,36-,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1 |
| InChIKey | DGLQIOJLFVRFMT-AEWZMEITSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C47H72O20 |
| Exact Mass | 956.461695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUK6ayK9bob |
|---|---|
| Name | CELOSIN-H;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL-POLYGALAGENIN-28-O-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72O20 |
| InChI | InChI=1S/C47H72O20/c1-42(2)11-13-47(41(61)67-39-31(56)29(54)28(53)24(17-48)63-39)14-12-45(5)20(21(47)15-42)7-8-26-43(3)16-22(50)36(44(4,19-49)25(43)9-10-46(26,45)6)66-40-33(58)34(32(57)35(65-40)37(59)60)64-38-30(55)27(52)23(51)18-62-38/h7,19,21-36,38-40,48,50-58H,8-18H2,1-6H3,(H,59,60)/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30+,31+,32-,33+,34-,35-,36-,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1 |
| InChIKey | DGLQIOJLFVRFMT-AEWZMEITSA-N |
| Literature Reference Author | X.PANG,H.X.YAN,Z.F.WANG,M.X.FAN,Y.ZHAO,X.T.FU,C.Q.XIONG,J.ZH ANG,B.P.MA,H.Z.GUO |
| Literature Reference Citation | J.AS.NAT.PROD.RES.,16,240(2014) |
| Literature Reference DOI | 10.1080/10286020.2013.879120 |
| Molecular Weight | 957.077 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA9066 |