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2(1H)-Phenanthrenone, 3,4,4a,9,10,10a-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,10a.alpha.)]-
SpectraBase Compound ID 8v1bmXgIw3h
InChI InChI=1S/C19H26O/c1-12(2)14-5-8-17-15(11-14)6-7-16-13(3)18(20)9-10-19(16,17)4/h5,8,11-13,16H,6-7,9-10H2,1-4H3/t13-,16-,19-/m0/s1
InChIKey PMZSHMPETRKMLW-AXHNFQJDSA-N
Mol Weight 270.42 g/mol
Molecular Formula C19H26O
Exact Mass 270.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I25PSXg0MlU
Name 2(1H)-Phenanthrenone, 3,4,4a,9,10,10a-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,10a.alpha.)]-
CAS Registry Number 16898-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O
InChI InChI=1S/C19H26O/c1-12(2)14-5-8-17-15(11-14)6-7-16-13(3)18(20)9-10-19(16,17)4/h5,8,11-13,16H,6-7,9-10H2,1-4H3/t13-,16-,19-/m0/s1
InChIKey PMZSHMPETRKMLW-AXHNFQJDSA-N
Molecular Weight 270.416 g/mol
SMILES [C@@]12([C@]([C@](C)(C(CC2)=O)[H])(CCc2c1ccc(C(C)C)c2)[H])C
SPLASH splash10-052f-1690000000-87d70b79ea3747af48a7
Source of Spectrum I-59-2681-0
Synonyms (1S,4aS,10aS)-7-isopropyl-1,4a-dimethyl-3,4,4a,9,10,10a-hexahydro-2(1H)-phenanthrenone 18-Norabieta-8,11,13-triene-3-one 2(1H)-Phenanthrone, 3,4,4a,9,10,10a-hexahydro-7-isopropyl-1,4a-dimethyl-, (1S,4aS,10aS)- 4.beta.-Demethyl-3-oxodehydroabietane
Wiley ID 105572