Chem
J-GLOBAL ID:200907049961613816   Nikkaji number:J1.935.881J

Oxystemokerrin N-oxide

オキシステモケリンN-オキシド
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: C22H31[N+]O6[O-]
Molecular formula furigana: C22-H31-N-O7
Molecular weight: 421.490
InChI: InChI=1S/C22H31NO7/c1-5-14(24)13-7-8-15-17-16-11(2)19(18-12(3)20(27-4)21(25)28-18)30-22(16,29-15)9-6-10-23(13,17)26/h11,13-17,24H,5-10H2,1-4H3/b19-18-/t11-,13+,14+,15+,16+,17-,22+,23?/m0/s1
InChI key: RHRRHHZEVNNTPT-JHZUFNNYSA-N
SMILES: CC[C@@H](O)[C@H]1CC[C@H]2O[C@@]34CCC[N+]1([O-])[C@@H]2[C@H]3[C@H](C)/C(=C\1/OC(=O)C(=C1C)OC)/O4
Systematic name  (3):
  • (10aα,10bα)-3aβ,10β-エポキシ-2-[(2Z)-4-メトキシ-3-メチル-5-オキソフラン-2(5H)-イリデン]-7β-[(R)-1-ヒドロキシプロピル]-1α-メチルドデカヒドロ-3-オキサ-6a-アザベンゾ[e]アズレン6a-オキシド
  • (1R,6R,9R,10R,11R,12S)-6-[(1R)-1-ヒドロキシプロピル]-13-[(2Z)-4-メトキシ-3-メチル-5-オキソ-2,5-ジヒドロフラン-2-イリデン]-12-メチル-14,15-ジオキサ-5-アザテトラシクロ[7.5.1.01,11.05,10]ペンタデカン-5-イウム-5-オラート
  • (1R,6R,9R,10R,11R,12S)-6-[(1R)-1-hydroxypropyl]-13-[(2Z)-4-methoxy-3-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-5-ium-5-olate
Other name (3):
  • (10aα,10bα)-3aβ,10β-Epoxy-2-[(2Z)-4-methoxy-3-methyl-5-oxofuran-2(5H)-ylidene]-7β-[(R)-1-hydroxypropyl]-1α-methyldodecahydro-3-oxa-6a-azabenzo[e]azulene 6a-oxide
  • オキシステモケリンN-オキシド
  • Oxystemokerrin N-oxide
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