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HOOKEROSIDE-C;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMN
SpectraBase Compound ID JcZUy3Em9ym
InChI InChI=1S/C75H122O38/c1-27-40(80)47(87)53(93)63(102-27)111-60-43(83)32(79)24-99-68(60)109-57-34(22-77)105-64(55(95)50(57)90)106-36-26-101-62(51(91)46(36)86)110-58-41(81)28(2)103-66(56(58)96)112-59-42(82)31(78)23-98-67(59)108-39-13-14-72(7)37(71(39,5)6)12-15-74(9)38(72)11-10-29-30-20-70(3,4)16-18-75(30,19-17-73(29,74)8)69(97)113-65-54(94)49(89)45(85)35(107-65)25-100-61-52(92)48(88)44(84)33(21-76)104-61/h10,27-28,30-68,76-96H,11-26H2,1-9H3/t27-,28+,30+,31-,32+,33-,34-,35-,36-,37+,38-,39+,40-,41+,42+,43-,44-,45-,46+,47+,48+,49+,50-,51-,52-,53+,54-,55-,56-,57-,58-,59-,60+,61-,62+,63-,64+,65+,66+,67+,68-,72?,73?,74?,75+/m1/s1
InChIKey JONJZYNIZFXPQF-DTPQKLRSSA-N
Mol Weight 1631.8 g/mol
Molecular Formula C75H122O38
Exact Mass 1630.761409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWN5Qwkr3sr
Name HOOKEROSIDE-C;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMN
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C75H122O38
InChI InChI=1S/C75H122O38/c1-27-40(80)47(87)53(93)63(102-27)111-60-43(83)32(79)24-99-68(60)109-57-34(22-77)105-64(55(95)50(57)90)106-36-26-101-62(51(91)46(36)86)110-58-41(81)28(2)103-66(56(58)96)112-59-42(82)31(78)23-98-67(59)108-39-13-14-72(7)37(71(39,5)6)12-15-74(9)38(72)11-10-29-30-20-70(3,4)16-18-75(30,19-17-73(29,74)8)69(97)113-65-54(94)49(89)45(85)35(107-65)25-100-61-52(92)48(88)44(84)33(21-76)104-61/h10,27-28,30-68,76-96H,11-26H2,1-9H3/t27-,28+,30+,31-,32+,33-,34-,35-,36-,37+,38-,39+,40-,41+,42+,43-,44-,45-,46+,47+,48+,49+,50-,51-,52-,53+,54-,55-,56-,57-,58-,59-,60+,61-,62+,63-,64+,65+,66+,67+,68-,72?,73?,74?,75+/m1/s1
InChIKey JONJZYNIZFXPQF-DTPQKLRSSA-N
Literature Reference Author J.TIAN,F.E.WU,M.H.QIU,R.L.NIE
Literature Reference Citation PHYTOCHEM.,32,1535(1993)
Literature Reference DOI 10.1016/0031-9422(93)85174-P
Molecular Weight 1631.771 g/mol
Solvent C5D5N
Source File Reference UWLU6627