SpectraBase Compound ID | 602xRdCBFCE |
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InChI | InChI=1S/C47H76O17/c1-21-8-14-46-20-59-47(38(46)22(21)2)15-10-27-42(4)12-11-29(43(5,19-49)26(42)9-13-44(27,6)45(47,7)16-28(46)51)62-40-36(33(55)30(52)23(3)60-40)64-41-37(34(56)32(54)25(17-48)61-41)63-39-35(57)31(53)24(50)18-58-39/h10,15,21-41,48-57H,8-9,11-14,16-20H2,1-7H3/t21-,22+,23-,24-,25-,26-,27-,28-,29+,30+,31+,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1 |
InChIKey | GIGMOKRQIQCYNY-JFEKQVAJSA-N |
Mol Weight | 913.1 g/mol |
Molecular Formula | C47H76O17 |
Exact Mass | 912.508251 g/mol |
SpectraBase Spectrum ID | 9BUaXJg2QV8 |
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Name | ROTUNDIFOLIOSIDE-H;#6;13-BETA,28-EPOXY-16-ALPHA,23-DIHYDROXY-URS-11-EN-3-BETA-YL-BETA-D-XYLOPARANOYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSIDE |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C47H76O17 |
InChI | InChI=1S/C47H76O17/c1-21-8-14-46-20-59-47(38(46)22(21)2)15-10-27-42(4)12-11-29(43(5,19-49)26(42)9-13-44(27,6)45(47,7)16-28(46)51)62-40-36(33(55)30(52)23(3)60-40)64-41-37(34(56)32(54)25(17-48)61-41)63-39-35(57)31(53)24(50)18-58-39/h10,15,21-41,48-57H,8-9,11-14,16-20H2,1-7H3/t21-,22+,23-,24-,25-,26-,27-,28-,29+,30+,31+,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1 |
InChIKey | GIGMOKRQIQCYNY-JFEKQVAJSA-N |
Literature Reference Author | T.FUJIOKA,K.YOSHIDA,H.FUJII,T.NAGAO,H.OKABE,K.MIHASHI |
Literature Reference Citation | CHEM.PHARM.BULL.,51,365(2003) |
Literature Reference DOI | 10.1248/cpb.51.365 |
Molecular Weight | 913.110 g/mol |
Solvent | C5D5N |
Source File Reference | UWMS21213 |