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ent-16,16-Ethylenedithio-17-norkaurane
SpectraBase Compound ID 1l0pAZAHBRG
InChI InChI=1S/C21H34S2/c1-18(2)8-4-9-19(3)16(18)7-10-20-13-15(5-6-17(19)20)21(14-20)22-11-12-23-21/h15-17H,4-14H2,1-3H3/t15-,16-,17+,19-,20+/m1/s1
InChIKey KBSGRWCGSHYOST-VROUVPMXSA-N
Mol Weight 350.6 g/mol
Molecular Formula C21H34S2
Exact Mass 350.210193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFsnmIzfyD4
Name ent-16,16-Ethylenedithio-17-norkaurane
Alternate Name(s) (1'S,4'R,9'R,10'R,13'R)-5',5',9'-trimethylspiro[1,3-dithiolane-2,14'-tetracyclo[11.2.1.0(1,10).0(4,9)]hexadecane]
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Formula C21H34S2
InChI InChI=1S/C21H34S2/c1-18(2)8-4-9-19(3)16(18)7-10-20-13-15(5-6-17(19)20)21(14-20)22-11-12-23-21/h15-17H,4-14H2,1-3H3/t15-,16-,17+,19-,20+/m1/s1
InChIKey KBSGRWCGSHYOST-VROUVPMXSA-N
Molecular Weight 350.623 g/mol
SMILES [C@@]123[C@]([C@@]4(CCCC([C@]4(CC3)[H])(C)C)C)(CC[C@](C2)(C2(C1)SCCS2)[H])[H]
SPLASH splash10-0089-3489000000-61ff25d24ab8f785cf94
Source of Spectrum H1-44-400-15
Wiley ID 758242