Chem
J-GLOBAL ID:200907098137861720
Nikkaji number:J40.240K
17-Acetylajmaline
17-アセチルアジュマリン
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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:
C22 H28 N2 O3
Molecular formula furigana:
C22-H28-N2-O3
Molecular weight:
368.477
InChI:
InChI=1S/C22H28N2O3/c1-4-12-13-9-16-19-22(14-7-5-6-8-15(14)23(19)3)10-17(24(16)21(12)26)18(13)20(22)27-11(2)25/h5-8,12-13,16-21,26H,4,9-10H2,1-3H3/t12-,13-,16-,17-,18-,19-,20+,21+,22+/m0/s1
InChI key:
SRISWFJLVRCABV-SXUJVROUSA-N
SMILES:
CC[C@@H]1[C@@H](O)N2[C@H]3C[C@]45[C@H](OC(=O)C)[C@H]3[C@H]1C[C@H]2[C@@H]4N(C)c1ccccc51
Systematic name (5):
(17R)-17-アセトキシアジュマラン-21α-オール
酢酸(17R)-21α-ヒドロキシアジュマラン-17-イル
(17R,21R)-アジュマラン-17,21-ジオール17-アセタート
(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-エチル-14-ヒドロキシ-8-メチル-8,15-ジアザヘキサシクロ[14.2.1.01,9 .02,7 .010,15 .012,17 ]ノナデカ-2,4,6-トリエン-18-イル アセタート
(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9 .02,7 .010,15 .012,17 ]nonadeca-2,4,6-trien-18-yl acetate
Other name (8):
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