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NOR-3S,14S-PETROCORTYNE_A

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NOR-3S,14S-PETROCORTYNE_A
SpectraBase Compound ID FnrS7GSXK9g
InChI InChI=1S/C45H68O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-36-39-42-45(47)43-40-37-34-31-30-32-35-38-41-44(46)4-2/h1-2,5-6,20-21,26-27,38,41,44-47H,7-19,22-25,28-37H2/b6-5-,21-20-,27-26-,41-38+/t44-,45-/m0/s1
InChIKey MRQZYVOSYAHCBX-SCVTUWHASA-N
Mol Weight 641.0 g/mol
Molecular Formula C45H68O2
Exact Mass 640.521931 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jVTBqH0LEw
Name NOR-3S,14S-PETROCORTYNE_A
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H68O2
InChI InChI=1S/C45H68O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-36-39-42-45(47)43-40-37-34-31-30-32-35-38-41-44(46)4-2/h1-2,5-6,20-21,26-27,38,41,44-47H,7-19,22-25,28-37H2/b6-5-,21-20-,27-26-,41-38+/t44-,45-/m0/s1
InChIKey MRQZYVOSYAHCBX-SCVTUWHASA-N
Literature Reference Author Y.J.LIM,J.S.KIM,K.S.IM,J.H.JUNG,C.O.LEE,J.HONG,D.K.KIM
Literature Reference Citation J.NAT.PROD.,62,1215(1999)
Literature Reference DOI 10.1021/np9900371
Molecular Weight 641.034 g/mol
Solvent CD3OD
Source File Reference UWMZ2616