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ROLLIACOCIN
SpectraBase Compound ID Jz92ZYx0IoD
InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-16-21-31(38)33-23-24-34(42-33)32(39)22-17-20-29(36)18-14-12-13-15-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29-,30?,31-,32-,33-,34-/m1/s1
InChIKey RWCQAHGQURURKQ-NQBORQTRSA-N
Mol Weight 596.9 g/mol
Molecular Formula C35H64O7
Exact Mass 596.465204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cs7SlaEc9Oq
Name ROLLIACOCIN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H64O7
InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-16-21-31(38)33-23-24-34(42-33)32(39)22-17-20-29(36)18-14-12-13-15-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29-,30?,31-,32-,33-,34-/m1/s1
InChIKey RWCQAHGQURURKQ-NQBORQTRSA-N
Literature Reference Author C.C.LIAW,F.R.CHANG,Y.Y.CHEN,H.F.CHIU,M.J.WU,Y.C.WU
Literature Reference Citation J.NAT.PROD.,62,1613(1999)
Literature Reference DOI 10.1021/np990181m
Molecular Weight 596.889 g/mol
Solvent CDCl3
Source File Reference UWRU109