Chem
J-GLOBAL ID：200907005446943369   Nikkaji number：J1.959.472F

(1R,2S,4R,6R,7R,3′S)-1-Methyl-4-isopropenyl-3′-(1-cyclohexenyl)-6′,7′-dihydrospiro[bicyclo[4.1.0]heptane-7,2′(3′H)-[5H]-1,4-dithiepin]-2-ol 4-nitrobenzoate

(1R,3R,3'S,5S,6R,7R)-3'-(シクロヘキサ-1-エン-1-イル)-6-メチル-3-(プロパ-1-エン-2-イル)スピロ[ビシクロ[4.1.0]ヘプタン-7,2'-[1,4]ジチエパン]-5-イル 4-ニトロベンゾアート
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： C28H35[N+]O3[O-]S2
Molecular formula furigana： C28-H35-N-O4-S2
Molecular weight： 513.710
InChI： InChI=1S/C28H35NO4S2/c1-18(2)21-16-23-27(3,24(17-21)33-26(30)20-10-12-22(13-11-20)29(31)32)28(23)25(34-14-7-15-35-28)19-8-5-4-6-9-19/h8,10-13,21,23-25H,1,4-7,9,14-17H2,2-3H3/t21-,23-,24+,25+,27-,28+/m1/s1
InChI key： NBGOFXJCUOMLSI-JEAHLELXSA-N
SMILES： CC(=C)[C@@H]1C[C@@H]2[C@](C)([C@H](C1)OC(=O)c1ccc(cc1)[N+](=O)[O-])[C@@]12SCCCS[C@H]1C1=CCCCC1
Systematic name  (3)：
  • (1R,2S,4R,6R,7R,3′S)-1-メチル-4-イソプロペニル-3′-(1-シクロヘキセニル)-6′,7′-ジヒドロスピロ[ビシクロ[4.1.0]ヘプタン-7,2′(3′H)-[5H]-1,4-ジチエピン]-2-オール4-ニトロベンゾアート
  • (1R,3R,3'S,5S,6R,7R)-3'-(シクロヘキサ-1-エン-1-イル)-6-メチル-3-(プロパ-1-エン-2-イル)スピロ[ビシクロ[4.1.0]ヘプタン-7,2'-[1,4]ジチエパン]-5-イル 4-ニトロベンゾアート
  • (1R,3R,3'S,5S,6R,7R)-3'-(cyclohex-1-en-1-yl)-6-methyl-3-(prop-1-en-2-yl)spiro[bicyclo[4.1.0]heptane-7,2'-[1,4]dithiepan]-5-yl 4-nitrobenzoate
Other name (1)：
  • (1R,2S,4R,6R,7R,3′S)-1-Methyl-4-isopropenyl-3′-(1-cyclohexenyl)-6′,7′-dihydrospiro[bicyclo[4.1.0]heptane-7,2′(3′H)-[5H]-1,4-dithiepin]-2-ol 4-nitrobenzoate
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