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19-chloro-7-oxo-ent-kaur-5,16-diene
SpectraBase Compound ID 3K2Q2BTLQnQ
InChI InChI=1S/C20H27ClO/c1-13-10-20-11-14(13)5-6-15(20)19(3)8-4-7-18(2,12-21)16(19)9-17(20)22/h9,14-15H,1,4-8,10-12H2,2-3H3/t14?,15-,18-,19-,20-/m0/s1
InChIKey XMUZSBMIYGGNRP-ZGYJVDLSSA-N
Mol Weight 318.89 g/mol
Molecular Formula C20H27ClO
Exact Mass 318.175043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15fqrJoS5L3
Name 19-chloro-7-oxo-ent-kaur-5,16-diene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27ClO
InChI InChI=1S/C20H27ClO/c1-13-10-20-11-14(13)5-6-15(20)19(3)8-4-7-18(2,12-21)16(19)9-17(20)22/h9,14-15H,1,4-8,10-12H2,2-3H3/t14?,15-,18-,19-,20-/m0/s1
InChIKey XMUZSBMIYGGNRP-ZGYJVDLSSA-N
Molecular Weight 318.888 g/mol
SMILES [C@@]123[C@]([C@@]4(CCC[C@](C4=CC3=O)(CCl)C)C)(CCC(C2)C(C1)=C)[H]
SPLASH splash10-014i-0139000000-12cb838eb51af5cf9060
Source of Spectrum F-69-3008-34
Synonyms (4R,6aR,11aS,11bS)-4-(chloromethyl)-4,11b-dimethyl-8-methylene-1,3,4,7,8,9,10,11,11a,11b-decahydro-6a,9-methanocyclohepta[a]naphthalen-6(2H)-one
Wiley ID 1737845