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ent-19-Chloro-16,16-ethylenedioxy-17-norkauran

View entire compound with spectra: 1 MS (GC)

ent-19-Chloro-16,16-ethylenedioxy-17-norkauran
SpectraBase Compound ID L4n7QCM0nqM
InChI InChI=1S/C21H33ClO2/c1-18(14-22)7-3-8-19(2)16(18)6-9-20-12-15(4-5-17(19)20)21(13-20)23-10-11-24-21/h15-17H,3-14H2,1-2H3/t15-,16-,17-,18+,19-,20+/m1/s1
InChIKey YLRURFZIWBDWET-CPPNMTBBSA-N
Mol Weight 352.9 g/mol
Molecular Formula C21H33ClO2
Exact Mass 352.216908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D89RiKNuEuG
Name ent-19-Chloro-16,16-ethylenedioxy-17-norkauran
Appearance Colourless syrup
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.216908001 u
Formula C21H33ClO2
InChI InChI=1S/C21H33ClO2/c1-18(14-22)7-3-8-19(2)16(18)6-9-20-12-15(4-5-17(19)20)21(13-20)23-10-11-24-21/h15-17H,3-14H2,1-2H3/t15-,16-,17-,18+,19-,20+/m1/s1
InChIKey YLRURFZIWBDWET-CPPNMTBBSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0002.806
Molecular Weight 352.946 g/mol
Quality 235
SMILES C1C[C@@]2([C@@]([C@](C1)(C)CCl)(CC[C@@]13[C@@]2(CC[C@](C3)(C2(C1)OCCO2)[H])[H])[H])C
SPLASH splash10-0w2i-2539000000-00b85a6f2bd90b4556f8
Source of Spectrum ARK-2001-52-52-1 (DOI: 10.3998/ark.5550190.0002.806)
Wiley ID 1908869