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PENTAACETYLDORSTENONE

View entire compound with spectra: 1 NMR

PENTAACETYLDORSTENONE
SpectraBase Compound ID bytMkFjD1I
InChI InChI=1S/C50H48O13/c1-27(2)9-19-39-44(61-31(6)53)23-21-40(50(39)63-33(8)55)49(58)46-41(35-13-17-37(18-14-35)60-30(5)52)25-28(3)26-42(46)47-45(62-32(7)54)24-20-38(48(47)57)43(56)22-12-34-10-15-36(16-11-34)59-29(4)51/h9-18,20-24,26,41-42,46,57H,19,25H2,1-8H3/b22-12+/t41-,42-,46-/m0/s1
InChIKey KQVBGBVNZYFWAT-GATLICJUSA-N
Mol Weight 856.9 g/mol
Molecular Formula C50H48O13
Exact Mass 856.309492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LyPR0BMhKgE
Name PENTAACETYLDORSTENONE
Compound Number 1A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H48O13
InChI InChI=1S/C50H48O13/c1-27(2)9-19-39-44(61-31(6)53)23-21-40(50(39)63-33(8)55)49(58)46-41(35-13-17-37(18-14-35)60-30(5)52)25-28(3)26-42(46)47-45(62-32(7)54)24-20-38(48(47)57)43(56)22-12-34-10-15-36(16-11-34)59-29(4)51/h9-18,20-24,26,41-42,46,57H,19,25H2,1-8H3/b22-12+/t41-,42-,46-/m0/s1
InChIKey KQVBGBVNZYFWAT-GATLICJUSA-N
Literature Reference Author A.TSOPMO,M.TENE,P.KAMNAING,J.A.AYAFOR,O.STERNER
Literature Reference Citation J.NAT.PROD.,62,1432(1999)
Literature Reference DOI 10.1021/np990109o
Molecular Weight 856.923 g/mol
Solvent CDCl3
Source File Reference WANG2047