Chem
J-GLOBAL ID：200907001292208347   Nikkaji number：J1.757.739E

(3aR)-7,8,8-Trimethyl-3-[(1R,2S)-1-(phenylthio)-2-hydroxy-2-cyclohexylethyl]-4α,7α-methano-3aβ,4,5,6,7,7aβ-hexahydrobenzoxazole-2(3H)-one

(3aR)-7,8,8-トリメチル-3-[(1R,2S)-1-(フェニルチオ)-2-ヒドロキシ-2-シクロヘキシルエチル]-4α,7α-メタノ-3aβ,4,5,6,7,7aβ-ヘキサヒドロベンゾオキサゾール-2(3H)-オン
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： C25H35NO3S
Molecular formula furigana： C25-H35-N-O3-S
Molecular weight： 429.620
InChI： InChI=1S/C25H35NO3S/c1-24(2)18-14-15-25(24,3)21-19(18)26(23(28)29-21)22(30-17-12-8-5-9-13-17)20(27)16-10-6-4-7-11-16/h5,8-9,12-13,16,18-22,27H,4,6-7,10-11,14-15H2,1-3H3/t18-,19-,20+,21-,22-,25+/m1/s1
InChI key： CJVAOVSRMFENNP-KPOKBGTPSA-N
SMILES： CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]1OC(=O)N([C@H](Sc3ccccc3)[C@@H](O)C3CCCCC3)[C@H]21
Systematic name  (3)：
  • (3aR)-7,8,8-トリメチル-3-[(1R,2S)-1-(フェニルチオ)-2-ヒドロキシ-2-シクロヘキシルエチル]-4α,7α-メタノ-3aβ,4,5,6,7,7aβ-ヘキサヒドロベンゾオキサゾール-2(3H)-オン
  • (1R,2S,6R,7S)-5-[(1R,2S)-2-シクロヘキシル-2-ヒドロキシ-1-(フェニルスルファニル)エチル]-1,10,10-トリメチル-3-オキサ-5-アザトリシクロ[5.2.1.02,6]デカン-4-オン
  • (1R,2S,6R,7S)-5-[(1R,2S)-2-cyclohexyl-2-hydroxy-1-(phenylsulfanyl)ethyl]-1,10,10-trimethyl-3-oxa-5-azatricyclo[5.2.1.02,6]decan-4-one
Other name (1)：
  • (3aR)-7,8,8-Trimethyl-3-[(1R,2S)-1-(phenylthio)-2-hydroxy-2-cyclohexylethyl]-4α,7α-methano-3aβ,4,5,6,7,7aβ-hexahydrobenzoxazole-2(3H)-one
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