Chem
J-GLOBAL ID:200907049822224678   Nikkaji number:J973.067B

(13S,14S)-7α,13-Dihydroxy-11,14-epoxy-9,11-secoabieta-8-ene-11-one

(13S,14S)-7α,13-ジヒドロキシ-11,14-エポキシ-9,11-セコアビエタ-8-エン-11-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: C20H32O4
Molecular formula furigana: C20-H32-O4
Molecular weight: 336.472
InChI: InChI=1S/C20H32O4/c1-12(2)20(23)11-16(22)24-17(20)13-10-19(5)8-6-7-18(3,4)15(19)9-14(13)21/h10,12,14-15,17,21,23H,6-9,11H2,1-5H3/t14-,15+,17+,19-,20+/m1/s1
InChI key: FYLSSKBRUUHNIK-HGAKGQHFSA-N
SMILES: CC(C)[C@@]1(O)CC(=O)O[C@H]1C1=C[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@H]1O
Systematic name  (3):
  • (13S,14S)-7α,13-ジヒドロキシ-11,14-エポキシ-9,11-セコアビエタ-8-エン-11-オン
  • (4S,5S)-5-[(3R,4aS,8aR)-3-ヒドロキシ-5,5,8a-トリメチル-3,4,4a,5,6,7,8,8a-オクタヒドロナフタレン-2-イル]-4-ヒドロキシ-4-(プロパン-2-イル)オキソラン-2-オン
  • (4S,5S)-5-[(3R,4aS,8aR)-3-hydroxy-5,5,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]-4-hydroxy-4-(propan-2-yl)oxolan-2-one
Other name (1):
  • (13S,14S)-7α,13-Dihydroxy-11,14-epoxy-9,11-secoabieta-8-ene-11-one
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