Chem
J-GLOBAL ID:200907040403244971
Nikkaji number:J2.066.623D
8-Isothiocyanatocycloamphilect-10-ene
8-イソチオシアナトシクロアンフィレクタ-10-エン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C21 H31 NS
Molecular formula furigana:
C21-H31-N-S
Molecular weight:
329.550
InChI:
InChI=1S/C21H31NS/c1-13-9-16-11-20(3,4)10-15-7-8-21(22-12-23)14(2)5-6-17(13)19(21)18(15)16/h7,13-14,16-19H,5-6,8-11H2,1-4H3/t13-,14-,16-,17+,18-,19-,21-/m0/s1
InChI key:
UALOZVMNQKNIOV-OXPIXLAOSA-N
SMILES:
C[C@H]1C[C@H]2CC(C)(C)CC3=CC[C@]4(N=C=S)[C@@H](C)CC[C@H]1[C@H]4[C@H]23
Systematic name (3):
1,2,3,3a,4,6,7,8,8aβ,9,10,10aα,10bβ,10cα-テトラデカヒドロ-3aα-イソチオシアナト-3α,7,7,10α-テトラメチルピレン
(3aS,3a1 S,5S,5aR,5a1 S,8S,8aS)-8a-イソチオシアナト-2,2,5,8-テトラメチル-1,2,3,3a,3a1, 4,5,5a,5a1, 6,7,8,8a,9-テトラデカヒドロピレン
(3aS,3a1 S,5S,5aR,5a1 S,8S,8aS)-8a-isothiocyanato-2,2,5,8-tetramethyl-1,2,3,3a,3a1, 4,5,5a,5a1, 6,7,8,8a,9-tetradecahydropyrene
Other name (3):
1,2,3,3a,4,6,7,8,8aβ,9,10,10aα,10bβ,10cα-Tetradecahydro-3aα-isothiocyanato-3α,7,7,10α-tetramethylpyrene
8-イソチオシアナトシクロアンフィレクタ-10-エン
8-Isothiocyanatocycloamphilect-10-ene
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