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SQUARROSANIN-A

View entire compound with spectra: 1 NMR

SQUARROSANIN-A
SpectraBase Compound ID 9wRMmTKVBgO
InChI InChI=1S/C55H32O33/c56-13-1-8(2-14(57)31(13)62)49(75)83-19-7-82-50(76)9-3-15(58)32(63)36(67)20(9)21-10(4-16(59)33(64)37(21)68)51(77)84-44(19)48-47-28(26-30-27-23-12(53(79)85-46(27)43(74)41(26)72)6-18(61)35(66)45(23)86-55(30)81)25-29(54(80)87-47)24(39(70)42(73)40(25)71)22-11(52(78)88-48)5-17(60)34(65)38(22)69/h1-6,19,28,44,47-48,56-74H,7H2/t19-,28-,44+,47+,48-/m1/s1
InChIKey JFVYISHLYWSFQF-WADVXMISSA-N
Mol Weight 1220.8 g/mol
Molecular Formula C55H32O33
Exact Mass 1220.082583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1n2ZxPpuwhX
Name SQUARROSANIN-A
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H32O33
InChI InChI=1S/C55H32O33/c56-13-1-8(2-14(57)31(13)62)49(75)83-19-7-82-50(76)9-3-15(58)32(63)36(67)20(9)21-10(4-16(59)33(64)37(21)68)51(77)84-44(19)48-47-28(26-30-27-23-12(53(79)85-46(27)43(74)41(26)72)6-18(61)35(66)45(23)86-55(30)81)25-29(54(80)87-47)24(39(70)42(73)40(25)71)22-11(52(78)88-48)5-17(60)34(65)38(22)69/h1-6,19,28,44,47-48,56-74H,7H2/t19-,28-,44+,47+,48-/m1/s1
InChIKey JFVYISHLYWSFQF-WADVXMISSA-N
Literature Reference Author M.YOSHIMURA,H.ITO,K.MIYASHITA,T.HATANO,S.TANIGUCHI,Y.AMAKURA ,T.YOSHIDA
Literature Reference Citation PHYTOCHEM.,69,3062(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.04.004
Molecular Weight 1220.839 g/mol
Sample ID 63854
Solvent ACETONE-D6:D2O