For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(+)-19-ACETOXY-CIS-CLERODAN-3-ENE-15-OIC-ACID

Compound with spectra: 1 NMR

(+)-19-ACETOXY-CIS-CLERODAN-3-ENE-15-OIC-ACID
SpectraBase Compound ID KCCKOtccGph
InChI InChI=1S/C22H36O4/c1-15(13-20(24)25)9-11-21(4)16(2)10-12-22(5)18(14-26-17(3)23)7-6-8-19(21)22/h7,15-16,19H,6,8-14H2,1-5H3,(H,24,25)/t15-,16-,19-,21+,22-/m1/s1
InChIKey QSEIUMVWJJWZJP-XOFRFHDUSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol
Enantiomer InChIKey QSEIUMVWJJWZJP-PTDPKTLFSA-N

View Spectrum of (+)-19-ACETOXY-CIS-CLERODAN-3-ENE-15-OIC-ACID

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD2Cl2
(+)-19-ACETOXY-CIS-ClERODANE-3-ENE-15-OIC-ACID
5-((1S,2R,4ar)-5-(Acetoxymethyl)-1,2,4A-trimethyl-1,2,3,4,4A,7,8,8A-octahydronaphthalen-1-yl)-3-methylpentanoic acid
DOORLQMABFHXMH-MDTJYUDLSA-N
5-[(1S,2R,4ar)-5-(Acetyloxymethyl)-1,2,4A-trimethyl-2,3,4,7,8,8A-hexahydronaphthalen-1-yl]-3-methylpentanoic acid, tms derivative
18-ACETOXY-3-ENE-CIS-CLERODAN-15-OL
18-ACETYL-TRINERDIOL
15,18-DIACETOXY-3-ENE-CIS-CLERODANE
DITERPENE BR-V
15,18-DIACETYL-TRINERTRIOL
DITERPENE BR-VI
Title Journal or Book Year
Structure elucidation and conformational properties of a novel bioactive clerodane diterpene using a combination of high field NMR spectroscopy, computational analysis and X-ray diffraction Bioorganic & Medicinal Chemistry Letters 2001
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.