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PETROCORTYNE_A
SpectraBase Compound ID Fa8LRgjKMfu
InChI InChI=1S/C46H70O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-37-40-43-46(48)44-41-38-35-32-31-33-36-39-42-45(47)4-2/h1-2,5-6,21-22,27-28,39,42,45-48H,7-20,23-26,29-38H2/b6-5-,22-21-,28-27-,42-39+/t45-,46-/m0/s1
InChIKey JHDVAFXLNSEWLY-QGJIOMKESA-N
Mol Weight 655.1 g/mol
Molecular Formula C46H70O2
Exact Mass 654.537581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1cVgwC4ebar
Name PETROCORTYNE_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H70O2
InChI InChI=1S/C46H70O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-37-40-43-46(48)44-41-38-35-32-31-33-36-39-42-45(47)4-2/h1-2,5-6,21-22,27-28,39,42,45-48H,7-20,23-26,29-38H2/b6-5-,22-21-,28-27-,42-39+/t45-,46-/m0/s1
InChIKey JHDVAFXLNSEWLY-QGJIOMKESA-N
Literature Reference Author J.SHIN,Y.SEO,K.W.CHO
Literature Reference Citation J.NAT.PROD.,61,1268(1998)
Literature Reference DOI 10.1021/np9802015
Molecular Weight 655.061 g/mol
Solvent CDCl3
Source File Reference UWMZ950