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HOMO-(3S,14S)-PETROCORTYNE

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HOMO-(3S,14S)-PETROCORTYNE
SpectraBase Compound ID CLsl55qvzwk
InChI InChI=1S/C47H72O2/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/h1-2,5-6,22-23,28-29,40,43,46-49H,7-21,24-27,30-39H2/b6-5+,23-22+,29-28+,43-40+/t46-,47?/m1/s1
InChIKey PWEODBAAMOAXBH-LPSYZZMJSA-N
Mol Weight 669.1 g/mol
Molecular Formula C47H72O2
Exact Mass 668.553232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hXVapMhR1w
Name HOMO-(3S,14S)-PETROCORTYNE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H72O2
InChI InChI=1S/C47H72O2/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/h1-2,5-6,22-23,28-29,40,43,46-49H,7-21,24-27,30-39H2/b6-5+,23-22+,29-28+,43-40+/t46-,47?/m1/s1
InChIKey PWEODBAAMOAXBH-LPSYZZMJSA-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 669.087 g/mol
Solvent CD3OD
Source File Reference UWKP2591