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7-Oxo-19-chloro-ent-atis-16-ene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7-Oxo-19-chloro-ent-atis-16-ene
SpectraBase Compound ID 5cgUqh1v15O
InChI InChI=1S/C20H29ClO/c1-13-11-20-8-5-14(13)9-16(20)19(3)7-4-6-18(2,12-21)15(19)10-17(20)22/h14-16H,1,4-12H2,2-3H3/t14?,15-,16+,18+,19?,20?/m1/s1
InChIKey JQRWSAFBQBBREM-RSGUCQGJSA-N
Mol Weight 320.9 g/mol
Molecular Formula C20H29ClO
Exact Mass 320.190693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Acde0wgkVpA
Name 7-oxo-19-Chloro-ent-atis-16-ene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.190693253 u
Formula C20H29ClO
InChI InChI=1S/C20H29ClO/c1-13-11-20-8-5-14(13)9-16(20)19(3)7-4-6-18(2,12-21)15(19)10-17(20)22/h14-16H,1,4-12H2,2-3H3/t14?,15-,16+,18+,19?,20?/m1/s1
InChIKey JQRWSAFBQBBREM-RSGUCQGJSA-N
Molecular Weight 320.904 g/mol
SMILES C123[C@](C4([C@]([C@](CCl)(CCC4)C)([H])CC1=O)C)(CC(CC2)C(C3)=C)[H]