John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7DPut6n6zAa SpectraBase Spectrum ID=2Ab6rvk93ah

(accessed ).
3.beta.-chloro-19-nor-(ent)-trachylob-4(18)-ene-14,15-dione
SpectraBase Compound ID 7DPut6n6zAa
InChI InChI=1S/C19H23ClO2/c1-9-10-4-7-19-13(17(10,2)6-5-12(9)20)8-11-14(15(19)21)18(11,3)16(19)22/h10-14H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14-,17-,18+,19+/m1/s1
InChIKey SDORPLKGZBEQDH-YHWJDRHYSA-N
Mol Weight 318.84 g/mol
Molecular Formula C19H23ClO2
Exact Mass 318.138658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Ab6rvk93ah
Name 3-BETA-CHLORO-19-NOR-ENT-TRACHYLOB-4-(18)-ENE-14,15-DIONE
Compound Number 24
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H23ClO2
InChI InChI=1S/C19H23ClO2/c1-9-10-4-7-19-13(17(10,2)6-5-12(9)20)8-11-14(15(19)21)18(11,3)16(19)22/h10-14H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14-,17-,18+,19+/m1/s1
InChIKey SDORPLKGZBEQDH-YHWJDRHYSA-N
Literature Reference Author C.BACCELLI,I.NAVARRO,S.BLOCK,A.ABAD,N.MOREL,J.QUETIN-LECLERC Q
Literature Reference Citation J.NAT.PROD.,70,910(2007)
Literature Reference DOI 10.1021/np0603976
Molecular Weight 318.843 g/mol
Sample ID 30383
Solvent CDCl3
SpectraBase Batch ID 3VTgWOxxGxe