Chem
J-GLOBAL ID：200907059442767640   Nikkaji number：J2.189.460E

(4S)-4β,6β-Bis(3-methylvaleryloxy)-3,4a-dimethyl-4,4aβ,5,6,7,8,8aβ,9-octahydronaphtho[2,3-b]furan-5β-carboxylic acid

(4S)-4β,6β-ビス(3-メチルバレリルオキシ)-3,4a-ジメチル-4,4aβ,5,6,7,8,8aβ,9-オクタヒドロナフト[2,3-b]フラン-5β-カルボン酸
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： C27H40O7
Molecular formula furigana： C27-H40-O7
Molecular weight： 476.610
InChI： InChI=1S/C27H40O7/c1-7-15(3)11-21(28)33-19-10-9-18-13-20-23(17(5)14-32-20)25(27(18,6)24(19)26(30)31)34-22(29)12-16(4)8-2/h14-16,18-19,24-25H,7-13H2,1-6H3,(H,30,31)/t15?,16?,18-,19+,24-,25-,27+/m1/s1
InChI key： OCOXBRYMXLKYEB-ATXZNUHQSA-N
SMILES： CCC(C)CC(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)CC(C)CC)[C@]2(C)[C@H]1C(=O)O
Systematic name  (4)：
  • (4S)-4β,6β-ビス(3-メチルバレリルオキシ)-3,4a-ジメチル-4,4aβ,5,6,7,8,8aβ,9-オクタヒドロナフト[2,3-b]フラン-5β-カルボン酸
  • (4S)-3,4aβ-ジメチル-4β,6β-ビス[(3-メチルバレリル)オキシ]-4,4a,5,6,7,8,8aβ,9-オクタヒドロナフト[2,3-b]フラン-5β-カルボン酸
  • (4S,4aS,5R,6S,8aR)-3,4a-ジメチル-4,6-ビス[(3-メチルペンタノイル)オキシ]-4H,4aH,5H,6H,7H,8H,8aH,9H-ナフト[2,3-b]フラン-5-カルボン酸
  • (4S,4aS,5R,6S,8aR)-3,4a-dimethyl-4,6-bis[(3-methylpentanoyl)oxy]-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-5-carboxylic acid
Other name (2)：
  • (4S)-4β,6β-Bis(3-methylvaleryloxy)-3,4a-dimethyl-4,4aβ,5,6,7,8,8aβ,9-octahydronaphtho[2,3-b]furan-5β-carboxylic acid
  • (4S)-3,4aβ-Dimethyl-4β,6β-bis[(3-methylvaleryl)oxy]-4,4a,5,6,7,8,8aβ,9-octahydronaphtho[2,3-b]furan-5β-carboxylic acid
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