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ACULEATOL_E;2-R*,4-R*,6-S*,8-R*,9-S*-4,9-DIHYDROXY-2-TRIDECYL-1,7-DIOXADISPIRO-[5.1.5.2]-PENTADEC-12-EN-11-ONE
SpectraBase Compound ID IOTVIpdiGgv
InChI InChI=1S/C26H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-18-22(28)20-26(30-23)17-16-25(31-26)15-14-21(27)19-24(25)29/h14-15,22-24,28-29H,2-13,16-20H2,1H3/t22-,23-,24+,25+,26+/m1/s1
InChIKey UBFNRKJKPNNCHD-JMTTVTNBSA-N
Mol Weight 436.6 g/mol
Molecular Formula C26H44O5
Exact Mass 436.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBawCPGoR1n
Name ACULEATOL_E;2-R*,4-R*,6-S*,8-R*,9-S*-4,9-DIHYDROXY-2-TRIDECYL-1,7-DIOXADISPIRO-[5.1.5.2]-PENTADEC-12-EN-11-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H44O5
InChI InChI=1S/C26H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-18-22(28)20-26(30-23)17-16-25(31-26)15-14-21(27)19-24(25)29/h14-15,22-24,28-29H,2-13,16-20H2,1H3/t22-,23-,24+,25+,26+/m1/s1
InChIKey UBFNRKJKPNNCHD-JMTTVTNBSA-N
Literature Reference Author Y.W.CHIN,A.A.SALIM,B.N.SU,Q.MI,H.B.CHAI,S.RISWAN,L.B.S.KARDO NO,A.RUSKANDI,N.R.FA
Literature Reference Citation J.NAT.PROD.,71,390(2008)
Literature Reference DOI 10.1021/np070584j
Molecular Weight 436.632 g/mol
Sample ID 27518
Solvent CDCl3