Chem
J-GLOBAL ID:200907024920507383   Nikkaji number:J17.790C

Rothin A

ロチンA
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: C15H20O3
Molecular formula furigana: C15-H20-O3
Molecular weight: 248.322
InChI: InChI=1S/C15H20O3/c1-8-5-4-6-15(3)7-10(16)11-9(2)14(17)18-13(11)12(8)15/h10-11,13,16H,2,4-7H2,1,3H3/t10-,11+,13-,15+/m0/s1
InChI key: GFTABBWAVCHCRO-YODMDTAWSA-N
SMILES: CC1=C2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C[C@@]2(C)CCC1
Systematic name  (3):
  • (3aR)-3aβ,4,5,5a,6,7,8,9bα-オクタヒドロ-4β-ヒドロキシ-5aα,9-ジメチル-3-メチレンナフト[1,2-b]フラン-2(3H)-オン
  • (3aR,4S,5aR,9bS)-4-ヒドロキシ-5a,9-ジメチル-3-メチリデン-2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9bH-ナフト[1,2-b]フラン-2-オン
  • (3aR,4S,5aR,9bS)-4-hydroxy-5a,9-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9bH-naphtho[1,2-b]furan-2-one
Other name (3):
  • ロチンA
  • Rothin A
  • (3aR)-3aβ,4,5,5a,6,7,8,9bα-Octahydro-4β-hydroxy-5aα,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
CAS registry number: 33530-72-2
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