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PETROTETRAYNDIOLD
SpectraBase Compound ID FGgAJtafHpH
InChI InChI=1S/C46H70O3/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-25-30-35-40-45(48)41-36-31-26-20-17-15-18-21-27-32-37-42-46(49)43-38-33-28-23-22-24-29-34-39-44(47)4-2/h1-2,5-6,15,17,34,39,44,46-47,49H,7-14,16,18-33,35-36,40-41H2/b6-5+,17-15+,39-34+
InChIKey RWTVQNNRNGKVDM-XOUYTFIRSA-N
Mol Weight 671.1 g/mol
Molecular Formula C46H70O3
Exact Mass 670.532496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1brNdEiucMk
Name PETROTETRAYNDIOLD
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H70O3
InChI InChI=1S/C46H70O3/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-25-30-35-40-45(48)41-36-31-26-20-17-15-18-21-27-32-37-42-46(49)43-38-33-28-23-22-24-29-34-39-44(47)4-2/h1-2,5-6,15,17,34,39,44,46-47,49H,7-14,16,18-33,35-36,40-41H2/b6-5+,17-15+,39-34+
InChIKey RWTVQNNRNGKVDM-XOUYTFIRSA-N
Literature Reference Author Y.J.LIM,H.S.PARK,K.S.IM,C.O.LEE,J.HONG,M.Y.LEE,D.K.KIM,J.H.J UNG
Literature Reference Citation J.NAT.PROD.,64,46(2001)
Literature Reference DOI 10.1021/np000252d
Molecular Weight 671.060 g/mol
Solvent CD3OD
Source File Reference UWKP2587