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PETROTETRAYNDIOL-F

View entire compound with spectra: 1 NMR

PETROTETRAYNDIOL-F
SpectraBase Compound ID 5ALIaSmywcZ
InChI InChI=1S/C47H76O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-35-38-41-44-47(49)45-42-39-36-33-32-34-37-40-43-46(48)4-2/h1-2,22-23,28-29,46-49H,5-21,24-27,30-40,43H2/b23-22-,29-28-/t46-,47+/m1/s1
InChIKey CPNZZXPRVXMIMZ-HIQMWVFKSA-N
Mol Weight 673.1 g/mol
Molecular Formula C47H76O2
Exact Mass 672.584532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5eIVSjTWkCn
Name PETROTETRAYNDIOL-F
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H76O2
InChI InChI=1S/C47H76O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-35-38-41-44-47(49)45-42-39-36-33-32-34-37-40-43-46(48)4-2/h1-2,22-23,28-29,46-49H,5-21,24-27,30-40,43H2/b23-22-,29-28-/t46-,47+/m1/s1
InChIKey CPNZZXPRVXMIMZ-HIQMWVFKSA-N
Literature Reference Author Y.J.LIM,C.O.LEE,J.HONG,D.K.KIM,K.S.IM,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,64,1565(2001)
Literature Reference DOI 10.1021/np010247p
Molecular Weight 673.119 g/mol
Solvent CD3OD
Source File Reference UWPA648