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ent-Cassa-12,15-diene
SpectraBase Compound ID H4HqyquRi6D
InChI InChI=1S/C20H32/c1-6-15-8-10-17-16(14(15)2)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,8,14,16-18H,1,7,9-13H2,2-5H3/t14-,16-,17-,18-,20+/m1/s1
InChIKey JQPDOKGAOXSRJD-SVEODPQUSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBjvBGSgG90
Name ent-Cassa-12,15-diene
Alternate Name(s) (1S,4aR,4bS,8aR,10aR)-2-ethenyl-1,4b,8,8-tetramethyl-1,4,4a,5,6,7,8a,9,10,10a-decahydrophenanthrene
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Formula C20H32
InChI InChI=1S/C20H32/c1-6-15-8-10-17-16(14(15)2)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,8,14,16-18H,1,7,9-13H2,2-5H3/t14-,16-,17-,18-,20+/m1/s1
InChIKey JQPDOKGAOXSRJD-SVEODPQUSA-N
Molecular Weight 272.476 g/mol
SMILES [C@@]12([C@]3([C@]([C@](C)(C(=CC3)C=C)[H])([H])CC[C@@]1(C(C)(C)CCC2)[H])[H])C
SPLASH splash10-0avi-5890000000-0451c402bb8c3d689c87
Source of Spectrum Y1-45-169-4
Wiley ID 1621857