Wiley SpectraBase; SpectraBase Compound ID=1QMYKHiCI5 SpectraBase Spectrum ID=514NCTDASth
http://spectrabase.com/spectrum/514NCTDASth (accessed Oct 25, 2020).

METHYL-2,3-SECOFRIEDELAN-2-AL-3-CARBOXYLATE
SpectraBase Compound ID 1QMYKHiCI5
InChI InChI=1S/C31H52O3/c1-21(25(33)34-9)28(5)12-10-23-29(6,22(28)11-19-32)16-18-31(8)24-20-26(2,3)13-14-27(24,4)15-17-30(23,31)7/h19,21-24H,10-18,20H2,1-9H3/t21?,22-,23?,24?,27-,28-,29+,30-,31+/m0/s1
InChIKey PWKQZDMZFVDSHE-AKBYTKPXSA-N
Mol Weight 472.8 g/mol
Molecular Formula C31H52O3
Exact Mass 472.391646 g/mol

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SpectraBase Spectrum ID 514NCTDASth
SpectraBase Batch ID 8BJFm1ne1xC
Name METHYL-2,3-SECOFRIEDELAN-2-AL-3-CARBOXYLATE
Compound Number 6A
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H52O3
InChI InChI=1S/C31H52O3/c1-21(25(33)34-9)28(5)12-10-23-29(6,22(28)11-19-32)16-18-31(8)24-20-26(2,3)13-14-27(24,4)15-17-30(23,31)7/h19,21-24H,10-18,20H2,1-9H3/t21?,22-,23?,24?,27-,28-,29+,30-,31+/m0/s1
InChIKey PWKQZDMZFVDSHE-AKBYTKPXSA-N
Literature Reference Author C.MOITEIRO,F.JUSTINO,R.TAVARES,M.J.MARCELO-CURTO,M.H.FLORENC IO,M.S.J.NASCIMENTO,
Literature Reference Citation J.NAT.PROD.,64,1273(2001)
Literature Reference DOI 10.1021/np010217m
Molecular Weight 472.752 g/mol
Solvent CDCl3
Source File Reference UWSI2093
SpectraBase Compound ID 1QMYKHiCI5