SpectraBase Compound ID | Fi73fRA62jK |
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InChI | InChI=1S/C48H76O18/c1-43(2)15-17-48(42(58)59)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)64-41-35(56)36(34(55)37(66-41)38(57)60-8)65-40-33(54)31(52)30(51)25(63-40)21-62-39-32(53)29(50)24(49)20-61-39/h9,23-37,39-41,49-56H,10-21H2,1-8H3,(H,58,59)/t23-,24+,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
InChIKey | LGUNXKLLKNZQCE-YYSHMIKPSA-N |
Mol Weight | 941.1 g/mol |
Molecular Formula | C48H76O18 |
Exact Mass | 940.503166 g/mol |
SpectraBase Spectrum ID | A9Ev15QYEnE |
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Name | BIFINOSIDE-B;OLEANOLIC-ACID-3-O-[BETA-D-XYLOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-(1->3)-BETA-D-GLUCURONOPYRANOSIDE-6-O-METHYLESTER |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C48H76O18 |
InChI | InChI=1S/C48H76O18/c1-43(2)15-17-48(42(58)59)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)64-41-35(56)36(34(55)37(66-41)38(57)60-8)65-40-33(54)31(52)30(51)25(63-40)21-62-39-32(53)29(50)24(49)20-61-39/h9,23-37,39-41,49-56H,10-21H2,1-8H3,(H,58,59)/t23-,24+,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
InChIKey | LGUNXKLLKNZQCE-YYSHMIKPSA-N |
Literature Reference Author | N.H.TUNG,T.H.QUANG,N.T.T.NGAN,C.V.MINH,B.K.ANH,P.Q.LONG,N.M. CUONG,Y.H.KIM |
Literature Reference Citation | CHEM.PHARM.BULL.,59,1417(2011) |
Literature Reference DOI | 10.1248/cpb.59.1417 |
Molecular Weight | 941.121 g/mol |
Source File Reference | UWIR3724 |