Chem
J-GLOBAL ID：200907047638261690   Nikkaji number：J2.769.160I

Archangelolide

アルカンゲロリド
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： C29H42O8
Molecular formula furigana： C29-H42-O8
Molecular weight： 518.647
InChI： InChI=1S/C29H42O8/c1-10-15(3)25(32)20-13-28(8,36-18(6)30)24-21(35-27(33)16(4)11-2)12-17(5)22(24)26-23(20)29(9,14-34-26)37-19(7)31/h11-12,15,20-24,26H,10,13-14H2,1-9H3/b16-11-/t15?,20-,21+,22+,23+,24-,26-,28-,29+/m0/s1
InChI key： FGDIFIIAPHHNMB-RNBXBFPOSA-N
SMILES： CCC(C)C(=O)[C@H]1C[C@](C)(OC(=O)C)[C@H]2[C@H](OC(=O)/C(=C\C)/C)C=C(C)[C@H]2[C@@H]2OC[C@@](C)(OC(=O)C)[C@H]12
Systematic name  (3)：
  • (Z)-2-メチル-2-ブテン酸(3S)-3β,6α-ジアセトキシ-2,3,3aβ,4,5,6,6aα,7,9aα,9bβ-デカヒドロ-3,6,9-トリメチル-4β-(2-メチルブチリル)アズレノ[4,5-b]フラン-7α-イル
  • (3S,3aR,4S,6S,6aR,7R,9aS,9bS)-3,6-ビス(アセチルオキシ)-3,6,9-トリメチル-4-(2-メチルブタノイル)-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-アズレノ[4,5-b]フラン-7-イル (2Z)-2-メチルブタ-2-エノアート
  • (3S,3aR,4S,6S,6aR,7R,9aS,9bS)-3,6-bis(acetyloxy)-3,6,9-trimethyl-4-(2-methylbutanoyl)-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-7-yl (2Z)-2-methylbut-2-enoate
Other name (3)：
  • (Z)-2-Methyl-2-butenoic acid (3S)-3β,6α-diacetoxy-2,3,3aβ,4,5,6,6aα,7,9aα,9bβ-decahydro-3,6,9-trimethyl-4β-(2-methylbutyryl)azuleno[4,5-b]furan-7α-yl ester
  • Archangelolide
  • アルカンゲロリド
CAS registry number： 41929-11-7
KEGG COMPOUND： C09296
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