Chem
J-GLOBAL ID:200907018411956829   Nikkaji number:J1.640.781J

(4aβ,8aα)-1β,5β-Diisocyano-2,5-dimethyl-8α-[2-methyl-5β-(1-methylethenyl)tetrahydrofuran-2β-yl]decahydronaphthalene-2α-ol

(4aβ,8aα)-1β,5β-ジイソシアノ-2,5-ジメチル-8α-[2-メチル-5β-(1-メチルエテニル)テトラヒドロフラン-2β-イル]デカヒドロナフタレン-2α-オール
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: C20[C-]2H32[N+]2O2
Molecular formula furigana: C22-H32-N2-O2
Molecular weight: 356.510
InChI: InChI=1S/C22H32N2O2/c1-14(2)17-10-13-22(5,26-17)16-8-11-20(3,24-7)15-9-12-21(4,25)19(23-6)18(15)16/h15-19,25H,1,8-13H2,2-5H3/t15-,16-,17-,18-,19+,20-,21+,22+/m0/s1
InChI key: VAONNIVTEFSATN-WQAUDIEISA-N
SMILES: CC(=C)[C@@H]1CC[C@@](C)(O1)[C@H]1CC[C@](C)([N+]#[C-])[C@H]2CC[C@@](C)(O)[C@H]([N+]#[C-])[C@H]12
Systematic name  (3):
  • (4aβ,8aα)-1β,5β-ジイソシアノ-2,5-ジメチル-8α-[2-メチル-5β-(1-メチルエテニル)テトラヒドロフラン-2β-イル]デカヒドロナフタレン-2α-オール
  • (1R,2R,4aS,5S,8S,8aS)-1,5-ジイソシアノ-2,5-ジメチル-8-[(2R,5S)-2-メチル-5-(プロパ-1-エン-2-イル)オキソラン-2-イル]-デカヒドロナフタレン-2-オール
  • (1R,2R,4aS,5S,8S,8aS)-1,5-diisocyano-2,5-dimethyl-8-[(2R,5S)-2-methyl-5-(prop-1-en-2-yl)oxolan-2-yl]-decahydronaphthalen-2-ol
Other name (1):
  • (4aβ,8aα)-1β,5β-Diisocyano-2,5-dimethyl-8α-[2-methyl-5β-(1-methylethenyl)tetrahydrofuran-2β-yl]decahydronaphthalene-2α-ol
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