Chem
J-GLOBAL ID:200907002854851120
Nikkaji number:J16.935H
Cassaidine
カサイジン
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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:
C24 H41 NO4
Molecular formula furigana:
C24-H41-N-O4
Molecular weight:
407.595
InChI:
InChI=1S/C24H41NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17-20,22,26-27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,18-,19-,20-,22-,24+/m0/s1
InChI key:
JKPVSFQJGXEMSU-CHEGSHICSA-N
SMILES:
C[C@@H]1[C@@H]2[C@@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@H]2CC/C/1=C\C(=O)OCCN(C)C
Systematic name (3):
[(1R,2E,4aβ,8aβ,10aα)-テトラデカヒドロ-7α,10α-ジヒドロキシ-1β,4bα,8,8-テトラメチルフェナントレン-2-イリデン]酢酸2-(ジメチルアミノ)エチル
2-(ジメチルアミノ)エチル 2-[(1R,2E,4aS,4bR,7S,8aR,10S,10aS)-7,10-ジヒドロキシ-1,4b,8,8-テトラメチル-テトラデカヒドロフェナントレン-2-イリデン]アセタート
2-(dimethylamino)ethyl 2-[(1R,2E,4aS,4bR,7S,8aR,10S,10aS)-7,10-dihydroxy-1,4b,8,8-tetramethyl-tetradecahydrophenanthren-2-ylidene]acetate
Other name (4):
カサイジン
カッサイジン
Cassaidine
[(1R,2E,4aβ,8aβ,10aα)-Tetradecahydro-7α,10α-dihydroxy-1β,4bα,8,8-tetramethylphenanthren-2-ylidene]acetic acid 2-(dimethylamino)ethyl ester
CAS registry number:
26296-41-3
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