SpectraBase Compound ID | APyexDq3OhO |
---|---|
InChI | InChI=1S/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-38(63)35(60)28(21-69-43-39(64)33(58)26(56)20-68-43)72-46(42)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-45-41(66)37(62)34(59)27(19-54)71-45)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26+,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1 |
InChIKey | UIMSMPXWHBZAKD-QFOPEFBYSA-N |
Mol Weight | 1075.2 g/mol |
Molecular Formula | C53H86O22 |
Exact Mass | 1074.561074 g/mol |
SpectraBase Spectrum ID | nFe0BordWA |
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Name | LONICEROSIDE-C;#1;3-O-BETA-D-GLUCOPYRANOSYL-HEDERAGENIN-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSYLESTER |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C53H86O22 |
InChI | InChI=1S/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-38(63)35(60)28(21-69-43-39(64)33(58)26(56)20-68-43)72-46(42)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-45-41(66)37(62)34(59)27(19-54)71-45)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26+,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1 |
InChIKey | UIMSMPXWHBZAKD-QFOPEFBYSA-N |
Literature Reference Author | W.J.KWAK,C.K.HAN,H.W.CHANG,H.P.KIM,S.S.KANG,K.H.SON |
Literature Reference Citation | CHEM.PHARM.BULL.,51,333(2003) |
Literature Reference DOI | 10.1248/cpb.51.333 |
Molecular Weight | 1075.253 g/mol |
Solvent | C5D5N |
Source File Reference | UWMS21197 |