| SpectraBase Compound ID | 8Cc2iTEpFpZ |
|---|---|
| InChI | InChI=1S/C53H82O24/c1-20-28(56)31(59)39(75-43-36(64)33(61)37(21(2)72-43)73-42-34(62)29(57)25(55)19-70-42)45(71-20)77-47(69)53-15-13-48(3,4)17-23(53)22-9-10-26-49(5)18-24(54)40(76-44-35(63)30(58)32(60)38(74-44)41(65)66)52(8,46(67)68)27(49)11-12-51(26,7)50(22,6)14-16-53/h9,20-21,23-40,42-45,54-64H,10-19H2,1-8H3,(H,65,66)(H,67,68)/t20-,21+,23+,24+,25+,26-,27-,28+,29-,30+,31+,32+,33+,34+,35-,36-,37+,38+,39-,40+,42-,43+,44+,45+,49-,50-,51-,52+,53+/m1/s1 |
| InChIKey | ZGJXPMROEKLPPN-AFEFRZAZSA-N |
| Mol Weight | 1103.2 g/mol |
| Molecular Formula | C53H82O24 |
| Exact Mass | 1102.519603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6C90hhMmoFz |
|---|---|
| Name | CELOSIN-I;3-O-BETA-D-GLUCURONOPYRANOSYL-MEDICAGENIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H82O24 |
| InChI | InChI=1S/C53H82O24/c1-20-28(56)31(59)39(75-43-36(64)33(61)37(21(2)72-43)73-42-34(62)29(57)25(55)19-70-42)45(71-20)77-47(69)53-15-13-48(3,4)17-23(53)22-9-10-26-49(5)18-24(54)40(76-44-35(63)30(58)32(60)38(74-44)41(65)66)52(8,46(67)68)27(49)11-12-51(26,7)50(22,6)14-16-53/h9,20-21,23-40,42-45,54-64H,10-19H2,1-8H3,(H,65,66)(H,67,68)/t20-,21+,23+,24+,25+,26-,27-,28+,29-,30+,31+,32+,33+,34+,35-,36-,37+,38+,39-,40+,42-,43+,44+,45+,49-,50-,51-,52+,53+/m1/s1 |
| InChIKey | ZGJXPMROEKLPPN-AFEFRZAZSA-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 | 1103.220 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA9067 |