Chem
J-GLOBAL ID：200907000962308325   Nikkaji number：J670.699A

Deltaline N-oxide

デルタリン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： C27H41[N+]O8[O-]
Molecular formula furigana： C27-H41-N-O9
Molecular weight： 523.623
InChI： InChI=1S/C27H41NO9/c1-7-28(31)12-23(3)9-8-17(33-5)26-20(23)21(37-14(2)29)27(22(26)28)25(35-13-36-27)11-16(32-4)15-10-24(26,30)19(25)18(15)34-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22+,23+,24+,25-,26-,27?,28?/m1/s1
InChI key： YWSXJRORNOTIDP-SQXRTVELSA-N
SMILES： CC[N+]1([O-])C[C@]2(C)CC[C@H](OC)[C@]34[C@@H]2[C@H](OC(=O)C)[C@]2(OCO[C@]52C[C@H](OC)[C@H]2C[C@]3(O)[C@@H]5[C@H]2OC)[C@@H]14
Systematic name  (3)：
  • 6β-アセトキシ-20-エチル-10-ヒドロキシ-1α,14α,16β-トリメトキシ-4-メチル-7,8-(メチレンビスオキシ)アコニタン20-オキシド
  • (1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-21-(アセチルオキシ)-14-エチル-2-ヒドロキシ-4,6,19-トリメトキシ-16-メチル-9,11-ジオキサ-14-アザヘプタシクロ[10.7.2.12,5.01,13.03,8.08,12.016,20]ドコサン-14-イウム-14-オラート
  • (1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-21-(acetyloxy)-14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-14-ium-14-olate
Other name (3)：
  • デルタリンN-オキシド
  • Deltaline N-oxide
  • 6β-Acetoxy-20-ethyl-10-hydroxy-1α,14α,16β-trimethoxy-4-methyl-7,8-(methylenebisoxy)aconitane 20-oxide
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM