Chem
J-GLOBAL ID:200907048116856959
Nikkaji number:J10.137K
Cassaine
カッサイン
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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 H39 NO4
Molecular formula furigana:
C24-H39-N-O4
Molecular weight:
405.579
InChI:
InChI=1S/C24H39NO4/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/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,19-,20-,22-,24+/m0/s1
InChI key:
GMHWATCMBXIANN-IOJUAHGHSA-N
SMILES:
C[C@@H]1[C@H]2[C@H](CC/C/1=C\C(=O)OCCN(C)C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2=O
Systematic name (3):
[(2E)-3,4,4aβ,4b,5,6,7,8,8aβ,9,10,10aα-ドデカヒドロ-7α-ヒドロキシ-1β,4bα,8,8-テトラメチル-10-オキソフェナントレン-2(1H)-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,10aS)-7-ヒドロキシ-1,4b,8,8-テトラメチル-10-オキソ-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,10aS)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-tetradecahydrophenanthren-2-ylidene]acetate
Other name (6):
カサイン
カッサイン
Cassaine
[(2E)-3,4,4aβ,4b,5,6,7,8,8aβ,9,10,10aα-Dodecahydro-7α-hydroxy-1β,4bα,8,8-tetramethyl-10-oxophenanthren-2(1H)-ylidene]acetic acid 2-(dimethylamino)ethyl ester
(+)-カッサイン
(+)-Cassaine
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CAS registry number:
468-76-8
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