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NOR-(3S,14S)-PETROCORTYNEA

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NOR-(3S,14S)-PETROCORTYNEA
SpectraBase Compound ID AhV9sd8Ykj6
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-/m1/s1
InChIKey MRQZYVOSYAHCBX-AHOFZLBWSA-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 38qD6MzZ3yB
Name NOR-(3S,14S)-PETROCORTYNEA
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-/m1/s1
InChIKey MRQZYVOSYAHCBX-AHOFZLBWSA-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 641.034 g/mol
Solvent CD3OD
Source File Reference UWKP2584