Chem
J-GLOBAL ID：200907082222879023   Nikkaji number：J1.679.686G

(1R,2R,3S,5R,6S,7S,8R)-2,8-Dimethyl-5-(1-methylene-5-methyl-4-hexenyl)tricyclo[5.3.0.02,6]decane-1,3-diol 1-acetate

(1R,2R,3S,5R,6S,7S,8R)-2,8-ジメチル-5-(1-メチレン-5-メチル-4-ヘキセニル)トリシクロ[5.3.0.02,6]デカン-1,3-ジオール1-アセタート
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： C22H34O3
Molecular formula furigana： C22-H34-O3
Molecular weight： 346.511
InChI： InChI=1S/C22H34O3/c1-13(2)8-7-9-14(3)17-12-18(24)21(6)20(17)19-15(4)10-11-22(19,21)25-16(5)23/h8,15,17-20,24H,3,7,9-12H2,1-2,4-6H3/t15-,17+,18+,19+,20+,21+,22-/m1/s1
InChI key： HDRZEVQYUJGYHF-RQQOZJFRSA-N
SMILES： C[C@@H]1CC[C@@]2(OC(=O)C)[C@@H]1[C@@H]1[C@@H](C[C@H](O)[C@]21C)C(=C)CCC=C(C)C
Systematic name  (3)：
  • (1R,2R,3S,5R,6S,7S,8R)-2,8-ジメチル-5-(1-メチレン-5-メチル-4-ヘキセニル)トリシクロ[5.3.0.02,6]デカン-1,3-ジオール1-アセタート
  • (1R,2R,3S,5R,6S,7S,8R)-3-ヒドロキシ-2,8-ジメチル-5-(6-メチルヘプタ-1,5-ジエン-2-イル)トリシクロ[5.3.0.02,6]デカン-1-イル アセタート
  • (1R,2R,3S,5R,6S,7S,8R)-3-hydroxy-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-1-yl acetate
Other name (1)：
  • (1R,2R,3S,5R,6S,7S,8R)-2,8-Dimethyl-5-(1-methylene-5-methyl-4-hexenyl)tricyclo[5.3.0.02,6]decane-1,3-diol 1-acetate
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