Chem
J-GLOBAL ID:200907097667405100
Nikkaji number:J405.568C
12-Epinapelline
12-エピナペリン
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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 H33 NO3
Molecular formula furigana:
C22-H33-N-O3
Molecular weight:
359.510
InChI:
InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13+,14-,15-,16-,17+,18-,19-,20+,21+,22+/m1/s1
InChI key:
AZAZKLKDEOMJBJ-NQGVWTFRSA-N
SMILES:
CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@H]1[C@H](C[C@H]23)[C@@]12C[C@@H]([C@H](O)C[C@@H]41)C(=C)[C@H]2O
Systematic name (3):
(20R)-21-エチル-4-メチル-16-メチレン-7α,20-シクロベアトカン-1α,12β,15β-トリオール
(1R,2R,4R,5R,7R,8R,9R,10R,13R,16S,17R)-11-エチル-13-メチル-6-メチリデン-11-アザヘキサシクロ[7.7.2.15,8 .01,10 .02,8 .013,17 ]ノナデカン-4,7,16-トリオール
(1R,2R,4R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8 .01,10 .02,8 .013,17 ]nonadecane-4,7,16-triol
Other name (5):
12-エピナペリン
12-Epinapelline
(20R)-21-Ethyl-4-methyl-16-methylene-7α,20-cycloveatchane-1α,12β,15β-triol
12-epi-Napelline
12-epi-ナペリン
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