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Kalihinol b
SpectraBase Compound ID A4k9CbDY7Wi
InChI InChI=1S/C22H33ClN2O2/c1-19(2,23)17-8-11-22(5,27-17)15-6-9-20(3,13-25)14-7-10-21(4,26)16(12-24)18(14)15/h14-18,26H,6-11H2,1-5H3/t14-,15-,16+,17-,18-,20+,21+,22+/m1/s1
InChIKey QBNYUGNMZLLMCY-HCNYGURSSA-N
Mol Weight 393.0 g/mol
Molecular Formula C22H33ClN2O2
Exact Mass 392.223056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1XxVFbxe08
Name Kalihinol b
CAS Registry Number 93426-92-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33ClN2O2
InChI InChI=1S/C22H33ClN2O2/c1-19(2,23)17-8-11-22(5,27-17)15-6-9-20(3,13-25)14-7-10-21(4,26)16(12-24)18(14)15/h14-18,26H,6-11H2,1-5H3/t14-,15-,16+,17-,18-,20+,21+,22+/m1/s1
InChIKey QBNYUGNMZLLMCY-HCNYGURSSA-N
Molecular Weight 392.971 g/mol
SMILES O[C@@]1([C@]([C@]2([C@]([C@]3(O[C@@](C(Cl)(C)C)(CC3)[H])C)(CC[C@]([C@@]2(CC1)[H])(C#N)C)[H])[H])(C#N)[H])C
SPLASH splash10-0292-6932000000-92685b5fef14a82b791e
Source of Spectrum C-109-6122-7
Synonyms (1R,4R,4aR,5R,6S,8aR)-4-[(2S,5R)-5-(1-chloro-1-methylethyl)-2-methyltetrahydro-2-furanyl]-6-hydroxy-1,6-dimethyldecahydro-1,5-naphthalenedicarbonitrile
Wiley ID 1365850