Chem
J-GLOBAL ID:200907049721371289   Nikkaji number:J656.550F

Amblyone

アンブリオン
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: C27H42O4
Molecular formula furigana: C27-H42-O4
Molecular weight: 430.629
InChI: InChI=1S/C27H42O4/c1-22(2)19-9-12-24(4)20(26(19)14-15-27(22,29)30-16-26)7-6-17-18(8-11-23(17,24)3)25(5)13-10-21(28)31-25/h17-20,29H,6-16H2,1-5H3/t17-,18+,19?,20+,23-,24-,25+,26-,27+/m1/s1
InChI key: IYHHZIXQJXKUSA-ZVKAKZBRSA-N
SMILES: C[C@]1(CCC(=O)O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]2(C)CCC2C(C)(C)[C@]3(O)CC[C@]12CO3
Systematic name  (3):
  • (20S)-3,19-エポキシ-3α,20-ジヒドロキシ-4,4,8,14-テトラメチル-18-ノルコラン-24-酸γ-ラクトン
  • (5S)-5-[(1S,2S,5R,6S,9R,10R,15S)-15-ヒドロキシ-9,10,14,14-テトラメチル-16-オキサペンタシクロ[13.2.2.01,13.02,10.05,9]ノナデカン-6-イル]-5-メチルオキソラン-2-オン
  • (5S)-5-[(1S,2S,5R,6S,9R,10R,15S)-15-hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-6-yl]-5-methyloxolan-2-one
Other name (3):
  • アンブリオン
  • Amblyone
  • (20S)-3,19-Epoxy-3α,20-dihydroxy-4,4,8,14-tetramethyl-18-norcholan-24-oic acid γ-lactone
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