Chem
J-GLOBAL ID：200907001628825951   Nikkaji number：J489.684J

Mansumbinoic acid

マンスンビン酸
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： C22H34O2
Molecular formula furigana： C22-H34-O2
Molecular weight： 330.512
InChI： InChI=1S/C22H34O2/c1-15(2)17-10-14-22(5)18(20(17,3)13-11-19(23)24)9-8-16-7-6-12-21(16,22)4/h6-7,16-18H,1,8-14H2,2-5H3,(H,23,24)/t16-,17-,18+,20-,21+,22+/m0/s1
InChI key： JHGHHJNAAWXVMF-QPOFKBRPSA-N
SMILES： CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C=CC[C@@]23C)[C@@]1(C)CCC(=O)O
Systematic name  (3)：
  • 8,10,14-トリメチル-4a-メチレン-3,4-セコ-A-ホモ-5α-ゴナ-16-エン-3-酸
  • 3-[(3aR,5aR,6S,7S,9aR,9bR)-6,9a,9b-トリメチル-7-(プロパ-1-エン-2-イル)-1H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH-シクロペンタ[a]ナフタレン-6-イル]プロパン酸
  • 3-[(3aR,5aR,6S,7S,9aR,9bR)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-1H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH-cyclopenta[a]naphthalen-6-yl]propanoic acid
Other name (5)：
  • 8,10,14-Trimethyl-4a-methylene-3,4-seco-A-homo-5α-gon-16-en-3-oic acid
  • 3,4-Secomansumbinoic acid
  • 3,4-セコマンスンビン酸
  • マンスンビン酸
  • Mansumbinoic acid
CAS registry number： 102848-63-5
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