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AMBOCIN-HEPTAACETATE

View entire compound with spectra: 2 NMR

AMBOCIN-HEPTAACETATE
SpectraBase Compound ID Dq8P5pMWGMv
InChI InChI=1S/C40H42O21/c1-18(41)52-16-40(61-24(7)47)17-53-39(37(40)58-23(6)46)51-15-31-34(55-20(3)43)35(56-21(4)44)36(57-22(5)45)38(60-31)59-27-12-29(48)32-30(13-27)50-14-28(33(32)49)25-8-10-26(11-9-25)54-19(2)42/h8-14,31,34-39,48H,15-17H2,1-7H3/t31-,34-,35+,36-,37+,38-,39-,40-/m1/s1
InChIKey VKPMOALCUOEZFB-QWSHXQSESA-N
Mol Weight 858.8 g/mol
Molecular Formula C40H42O21
Exact Mass 858.221858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Df8ptKKwMSn
Name VKPMOALCUOEZFB-QWSHXQSESA-N
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42O21
InChI InChI=1S/C40H42O21/c1-18(41)52-16-40(61-24(7)47)17-53-39(37(40)58-23(6)46)51-15-31-34(55-20(3)43)35(56-21(4)44)36(57-22(5)45)38(60-31)59-27-12-29(48)32-30(13-27)50-14-28(33(32)49)25-8-10-26(11-9-25)54-19(2)42/h8-14,31,34-39,48H,15-17H2,1-7H3/t31-,34-,35+,36-,37+,38-,39-,40-/m1/s1
InChIKey VKPMOALCUOEZFB-QWSHXQSESA-N
Literature Reference Author L.MATHIAS,I.J.C.VIEIRA,R.BRAZ-FILHO,E.RODRIGUES-FILHO
Literature Reference Citation J.NAT.PROD.,61,1158(1998)
Literature Reference DOI 10.1021/np9800598
Molecular Weight 858.761 g/mol
Solvent CDCl3
Source File Reference UWCP2132