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ALTERNOSIDE-XV;CHICHIPEGENIN-22-O-TIGLOYL-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL-28-O-BETA-D-FUCOPYRANOSIDE
SpectraBase Compound ID LMvWFybAbk9
InChI InChI=1S/C53H84O20/c1-11-23(2)44(66)70-32-20-48(4,5)18-26-25-12-13-29-50(8)16-15-31(71-47-40(63)41(39(62)42(73-47)43(64)65)72-46-38(61)36(59)34(57)27(21-54)69-46)49(6,7)28(50)14-17-51(29,9)52(25,10)19-30(55)53(26,32)22-67-45-37(60)35(58)33(56)24(3)68-45/h11-12,24,26-42,45-47,54-63H,13-22H2,1-10H3,(H,64,65)/b23-11+/t24-,26-,27+,28?,29?,30-,31-,32-,33+,34+,35+,36-,37-,38+,39-,40+,41-,42-,45-,46-,47+,50-,51+,52+,53-/m0/s1
InChIKey CORSEAJTRXRMNC-CCXVHTIYSA-N
Mol Weight 1041.2 g/mol
Molecular Formula C53H84O20
Exact Mass 1040.555595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUGKw5EexKz
Name ALTERNOSIDE-XV;CHICHIPEGENIN-22-O-TIGLOYL-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL-28-O-BETA-D-FUCOPYRANOSIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H84O20
InChI InChI=1S/C53H84O20/c1-11-23(2)44(66)70-32-20-48(4,5)18-26-25-12-13-29-50(8)16-15-31(71-47-40(63)41(39(62)42(73-47)43(64)65)72-46-38(61)36(59)34(57)27(21-54)69-46)49(6,7)28(50)14-17-51(29,9)52(25,10)19-30(55)53(26,32)22-67-45-37(60)35(58)33(56)24(3)68-45/h11-12,24,26-42,45-47,54-63H,13-22H2,1-10H3,(H,64,65)/b23-11+/t24-,26-,27+,28?,29?,30-,31-,32-,33+,34+,35+,36-,37-,38+,39-,40+,41-,42-,45-,46-,47+,50-,51+,52+,53-/m0/s1
InChIKey CORSEAJTRXRMNC-CCXVHTIYSA-N
Literature Reference Author K.YOSHIKAWA,K.TAKAHASHI,K.MATSUCHIKA,S.ARIHARA,H.C.CHANG,J.D .WANG
Literature Reference Citation CHEM.PHARM.BULL.,47,1598(1999)
Literature Reference DOI 10.1248/cpb.47.1598
Molecular Weight 1041.238 g/mol
Solvent C5D5N
Source File Reference UWLU8392