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Kaur-16-ene-15-carboxaldehyde, (5.alpha.,9.alpha.,10.beta.,15.alpha.)-
SpectraBase Compound ID Ah4PkfDQumU
InChI InChI=1S/C21H32O/c1-14-15-6-7-18-20(4)10-5-9-19(2,3)17(20)8-11-21(18,12-15)16(14)13-22/h13,15-18H,1,5-12H2,2-4H3/t15-,16-,17+,18-,20+,21-/m1/s1
InChIKey KODLJHGYHKZGLX-LRXQYKGQSA-N
Mol Weight 300.5 g/mol
Molecular Formula C21H32O
Exact Mass 300.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrGVxhyiHXm
Name Kaur-16-ene-15-carboxaldehyde, (5.alpha.,9.alpha.,10.beta.,15.alpha.)-
Alternate Name(s) (13alpha,15alpha)-kaur-16-ene-15-carbaldehyde (15.alpha.)-Phylloclad-16-ene-15-carbaldehyde 1H-2,10a-ethanophenanthrene, kaur-16-ene-15-carboxaldehyde deriv.
CAS Registry Number 76844-20-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O
InChI InChI=1S/C21H32O/c1-14-15-6-7-18-20(4)10-5-9-19(2,3)17(20)8-11-21(18,12-15)16(14)13-22/h13,15-18H,1,5-12H2,2-4H3/t15-,16-,17+,18-,20+,21-/m1/s1
InChIKey KODLJHGYHKZGLX-LRXQYKGQSA-N
Molecular Weight 300.486 g/mol
SMILES [C@]123[C@@]([C@]4(CCCC([C@@]4(CC3)[H])(C)C)C)(CC[C@](C2)(C([C@]1(C=O)[H])=C)[H])[H]
SPLASH splash10-0udi-0009000000-54a088755c5399b93acd
Source of Spectrum B-33-2069-0
Wiley ID 1303470