Chem
J-GLOBAL ID:200907017913796616   Nikkaji number:J1.755.969I

1,2,3,4aβ,5,6a,6bβ,7,8,9,10,12aβ-Dodecahydro-6aα,9α-diphenyl-1β,4β-methano-4H-isoindolo[2,1-a][3,1]benzoxazine-11(10aαH)-one

(1R,2R,5R,7S,10R,11R,14S,15S)-7,11-ジフェニル-12-オキサ-3-アザペンタシクロ[13.2.1.02,14.03,11.05,10]オクタデカン-4-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: C28H31NO2
Molecular formula furigana: C28-H31-N-O2
Molecular weight: 413.561
InChI: InChI=1S/C28H31NO2/c30-27-23-16-19(18-7-3-1-4-8-18)13-14-25(23)28(22-9-5-2-6-10-22)29(27)26-21-12-11-20(15-21)24(26)17-31-28/h1-10,19-21,23-26H,11-17H2/t19-,20-,21+,23+,24-,25+,26+,28-/m0/s1
InChI key: NTEXUUKYSBKMGJ-IAIYRYBLSA-N
SMILES: O=C1[C@@H]2C[C@H](CC[C@H]2[C@@]2(OC[C@H]3[C@H]4CC[C@H](C4)[C@H]3N12)c1ccccc1)c1ccccc1
Systematic name  (3):
  • 1,2,3,4aβ,5,6a,6bβ,7,8,9,10,12aβ-ドデカヒドロ-6aα,9α-ジフェニル-1β,4β-メタノ-4H-イソインドロ[2,1-a][3,1]ベンゾオキサジン-11(10aαH)-オン
  • (1R,2R,5R,7S,10R,11R,14S,15S)-7,11-ジフェニル-12-オキサ-3-アザペンタシクロ[13.2.1.02,14.03,11.05,10]オクタデカン-4-オン
  • (1R,2R,5R,7S,10R,11R,14S,15S)-7,11-diphenyl-12-oxa-3-azapentacyclo[13.2.1.02,14.03,11.05,10]octadecan-4-one
Other name (1):
  • 1,2,3,4aβ,5,6a,6bβ,7,8,9,10,12aβ-Dodecahydro-6aα,9α-diphenyl-1β,4β-methano-4H-isoindolo[2,1-a][3,1]benzoxazine-11(10aαH)-one
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