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1-BETA,5-ALPHA,8-TRISANGELOYLOXY-3-BETA,4-BETA,10,11-BISEPOXYBISABOL-7-(14)-ENE-2-BETA-OL
SpectraBase Compound ID EnqhInRRWqI
InChI InChI=1S/C30H42O9/c1-11-15(4)26(32)35-19(14-20-29(8,9)38-20)18(7)21-22(36-27(33)16(5)12-2)24(31)30(10)25(39-30)23(21)37-28(34)17(6)13-3/h11-13,19-25,31H,7,14H2,1-6,8-10H3/b15-11-,16-12-,17-13-/t19?,20?,21-,22+,23+,24+,25-,30+/m1/s1
InChIKey POAQTLNAYFDANM-IWYVCLIESA-N
Mol Weight 546.7 g/mol
Molecular Formula C30H42O9
Exact Mass 546.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fvk5caaZWVz
Name 1-BETA,5-ALPHA,8-TRISANGELOYLOXY-3-BETA,4-BETA,10,11-BISEPOXYBISABOL-7-(14)-ENE-2-BETA-OL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42O9
InChI InChI=1S/C30H42O9/c1-11-15(4)26(32)35-19(14-20-29(8,9)38-20)18(7)21-22(36-27(33)16(5)12-2)24(31)30(10)25(39-30)23(21)37-28(34)17(6)13-3/h11-13,19-25,31H,7,14H2,1-6,8-10H3/b15-11-,16-12-,17-13-/t19?,20?,21-,22+,23+,24+,25-,30+/m1/s1
InChIKey POAQTLNAYFDANM-IWYVCLIESA-N
Literature Reference Author H.ONUKI,M.YAMAZAKI,A.NAKAMURA,R.HANAI,C.KURODA,X.GONG,Y.SHEN ,H.HIROTA
Literature Reference Citation J.NAT.PROD.,71,520(2008)
Literature Reference DOI 10.1021/np070195p
Molecular Weight 546.658 g/mol
Sample ID 27542
Solvent CDCl3