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PURGINOSIDE_I
SpectraBase Compound ID GftTalIJGvy
InChI InChI=1S/C70H112O26/c1-9-12-14-15-17-21-29-35-48(73)91-64-63(96-66-54(79)52(77)51(76)46(38-71)88-66)59(94-68-61(90-49(74)37-36-44-30-25-23-26-31-44)55(80)57(41(6)84-68)92-65(82)39(4)11-3)43(8)86-70(64)93-58-42(7)85-69-62(56(58)81)89-47(72)34-28-22-19-16-18-20-27-33-45(32-24-13-10-2)87-67-60(95-69)53(78)50(75)40(5)83-67/h23,25-26,30-31,36-37,39-43,45-46,50-64,66-71,75-81H,9-22,24,27-29,32-35,38H2,1-8H3/b37-36+/t39?,40-,41+,42+,43+,45+,46+,50+,51+,52-,53+,54+,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,66-,67+,68+,69+,70+/m1/s1
InChIKey MFVVQPJPHUAJBA-QDSHDPGNSA-N
Mol Weight 1369.6 g/mol
Molecular Formula C70H112O26
Exact Mass 1368.744184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HJAMehLQoAg
Name PURGINOSIDE_I
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H112O26
InChI InChI=1S/C70H112O26/c1-9-12-14-15-17-21-29-35-48(73)91-64-63(96-66-54(79)52(77)51(76)46(38-71)88-66)59(94-68-61(90-49(74)37-36-44-30-25-23-26-31-44)55(80)57(41(6)84-68)92-65(82)39(4)11-3)43(8)86-70(64)93-58-42(7)85-69-62(56(58)81)89-47(72)34-28-22-19-16-18-20-27-33-45(32-24-13-10-2)87-67-60(95-69)53(78)50(75)40(5)83-67/h23,25-26,30-31,36-37,39-43,45-46,50-64,66-71,75-81H,9-22,24,27-29,32-35,38H2,1-8H3/b37-36+/t39?,40-,41+,42+,43+,45+,46+,50+,51+,52-,53+,54+,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,66-,67+,68+,69+,70+/m1/s1
InChIKey MFVVQPJPHUAJBA-QDSHDPGNSA-N
Literature Reference Author J.CASTANEDA-GOMEZ,R.PEREDA-MIRANDA
Literature Reference Citation J.NAT.PROD.,74,1148(2011)
Literature Reference DOI 10.1021/np200080k
Molecular Weight 1369.644 g/mol
Sample ID 38199
Solvent C5D5N