Chem
J-GLOBAL ID:200907063147118360
Nikkaji number:J640.430H
Methyl pisiferate
ピシフェリン酸メチル
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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:
C21 H30 O3
Molecular formula furigana:
C21-H30-O3
Molecular weight:
330.468
InChI:
InChI=1S/C21H30O3/c1-13(2)15-11-14-7-8-18-20(3,4)9-6-10-21(18,19(23)24-5)16(14)12-17(15)22/h11-13,18,22H,6-10H2,1-5H3/t18-,21-/m0/s1
InChI key:
CSHSJHHSQAKYJV-RXVVDRJESA-N
SMILES:
COC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(O)cc21
Systematic name (3):
(4aR,10aS)-1,3,4,9,10,10a-ヘキサヒドロ-6-ヒドロキシ-7-イソプロピル-1,1-ジメチル-4a(2H)-フェナントレンカルボン酸メチル
メチル (4aR,10aS)-6-ヒドロキシ-1,1-ジメチル-7-(プロパン-2-イル)-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-4a-カルボキシラート
methyl (4aR,10aS)-6-hydroxy-1,1-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylate
Other name (2):
ピシフェリン酸メチル
Methyl pisiferate
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