Chem
J-GLOBAL ID：201307020377413559
Nikkaji number：J3.211.399K
(2S)-6aα-Hydroxy-4,5,6,6a-tetrahydrospiro[2H-cyclopenta[b]furan-2,1′-tetralin]-3aα(3H)-carboxylic acid methyl ester
(2S)-6aα-ヒドロキシ-4,5,6,6a-テトラヒドロスピロ[2H-シクロペンタ[b]フラン-2,1′-テトラリン]-3aα(3H)-カルボン酸メチル
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
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
Molecular formula： C18H22O4
Molecular formula furigana： C18-H22-O4
Molecular weight： 302.370
InChI：
InChI=1S/C18H22O4/c1-21-15(19)16-9-5-11-18(16,20)22-17(12-16)10-4-7-13-6-2-3-8-14(13)17/h2-3,6,8,20H,4-5,7,9-12H2,1H3/t16-,17+,18-/m1/s1
InChI key：
MHJZYTGFOOJJMA-FGTMMUONSA-N
SMILES：
COC(=O)[C@]12CCC[C@@]1(O)O[C@]1(C2)CCCc2ccccc12
Systematic name (3)：
- (2S)-6aα-ヒドロキシ-4,5,6,6a-テトラヒドロスピロ[2H-シクロペンタ[b]フラン-2,1′-テトラリン]-3aα(3H)-カルボン酸メチル
- メチル (2S,3aS,6aR)-6a-ヒドロキシ-3,3',3a,4,4',5,6,6a-オクタヒドロ-2'H-スピロ[シクロペンタ[b]フラン-2,1'-ナフタレン]-3a-カルボキシラート
- methyl (2S,3aS,6aR)-6a-hydroxy-3,3',3a,4,4',5,6,6a-octahydro-2'H-spiro[cyclopenta[b]furan-2,1'-naphthalene]-3a-carboxylate
- (2S)-6aα-Hydroxy-4,5,6,6a-tetrahydrospiro[2H-cyclopenta[b]furan-2,1′-tetralin]-3aα(3H)-carboxylic acid methyl ester
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