Chem
J-GLOBAL ID：200907065441597155   Nikkaji number：J2.082.826I

(4S)-4α,4aα-Epoxy-5,5,8aβ-trimethyl-8α-hydroxy-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid 1,8-lactone

(1R,5S,11S,13S)-2,2,13-トリメチル-6,12-ジオキサテトラシクロ[6.4.1.01,11.05,13]トリデカ-8-エン-7-オン
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： C14H18O3
Molecular formula furigana： C14-H18-O3
Molecular weight： 234.295
InChI： InChI=1S/C14H18O3/c1-12(2)7-6-9-13(3)8(11(15)16-9)4-5-10-14(12,13)17-10/h4,9-10H,5-7H2,1-3H3/t9-,10-,13-,14+/m0/s1
InChI key： BPYIRONYLJFGSM-TXFQPVFDSA-N
SMILES： C[C@]12[C@@H]3CCC(C)(C)[C@]41O[C@H]4CC=C2C(=O)O3
Systematic name  (3)：
  • (4S)-4α,4aα-エポキシ-5,5,8aβ-トリメチル-8α-ヒドロキシ-3,4,4a,5,6,7,8,8a-オクタヒドロナフタレン-1-カルボン酸1,8-ラクトン
  • (1R,5S,11S,13S)-2,2,13-トリメチル-6,12-ジオキサテトラシクロ[6.4.1.01,11.05,13]トリデカ-8-エン-7-オン
  • (1R,5S,11S,13S)-2,2,13-trimethyl-6,12-dioxatetracyclo[6.4.1.01,11.05,13]tridec-8-en-7-one
Other name (1)：
  • (4S)-4α,4aα-Epoxy-5,5,8aβ-trimethyl-8α-hydroxy-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid 1,8-lactone
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