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28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-QUINOVOPYRANOSYL]-GYPSOGENIN-ESTER
SpectraBase Compound ID 4pBczB2913n
InChI InChI=1S/C53H84O20/c1-23-32(57)35(60)38(63)44(67-23)71-41-33(58)24(2)68-46(42(41)72-45-39(64)36(61)40(25(3)69-45)70-43-37(62)34(59)28(55)21-66-43)73-47(65)53-18-16-48(4,5)20-27(53)26-10-11-30-49(6)14-13-31(56)50(7,22-54)29(49)12-15-52(30,9)51(26,8)17-19-53/h10,22-25,27-46,55-64H,11-21H2,1-9H3/t23-,24-,25+,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+/m1/s1
InChIKey LRQOGAKNGAAJLY-RWYLNOAXSA-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 9XsLXBxm4zO
Name 28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-QUINOVOPYRANOSYL]-GYPSOGENIN-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H84O20
InChI InChI=1S/C53H84O20/c1-23-32(57)35(60)38(63)44(67-23)71-41-33(58)24(2)68-46(42(41)72-45-39(64)36(61)40(25(3)69-45)70-43-37(62)34(59)28(55)21-66-43)73-47(65)53-18-16-48(4,5)20-27(53)26-10-11-30-49(6)14-13-31(56)50(7,22-54)29(49)12-15-52(30,9)51(26,8)17-19-53/h10,22-25,27-46,55-64H,11-21H2,1-9H3/t23-,24-,25+,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+/m1/s1
InChIKey LRQOGAKNGAAJLY-RWYLNOAXSA-N
Literature Reference Author N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation PHYTOCHEM.,52,153(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00454-3
Molecular Weight 1041.238 g/mol
Solvent C5D5N
Source File Reference UWVN1337