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7-Oxo-ent-kaur-16-en-18,6.beta.-olide

View entire compound with spectra: 1 MS (GC)

7-Oxo-ent-kaur-16-en-18,6.beta.-olide
SpectraBase Compound ID JkZENQmOtTm
InChI InChI=1S/C20H26O3/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3)15(18)14(16(20)21)23-17(19)22/h12-15H,1,4-10H2,2-3H3/t12-,13+,14+,15?,18+,19+,20+/m1/s1
InChIKey VCCKBMBRVGBEIV-FYOAVPTRSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bh7QbJJWW6H
Name 7-Oxo-ent-kaur-16-en-18,6.beta.-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3)15(18)14(16(20)21)23-17(19)22/h12-15H,1,4-10H2,2-3H3/t12-,13+,14+,15?,18+,19+,20+/m1/s1
InChIKey VCCKBMBRVGBEIV-FYOAVPTRSA-N
Molecular Weight 314.425 g/mol
SMILES [C@@]123C([C@]4(OC(=O)[C@@]5(C4[C@]([C@@]3(CC[C@](C1)(C(C2)=C)[H])[H])(CCC5)C)C)[H])=O
SPLASH splash10-000i-0980000000-24919a0e17b4e0a8c043
Source of Spectrum KC-61-5631-37
Wiley ID 1629516