Chem
J-GLOBAL ID：200907086643304629   Nikkaji number：J2.048.045I

(2R,3S,4R,5S,6S,9R,10R,11S,12S,13R)-2,4,6,10,12-Pentamethyl-3,5:9,11-bis(2,4,6-trimethylbenzylidenedioxy)-8-methylene-13-hydroxytetradecanoic acid

(2R,3S,4R,5S,6S,9R,10R,11S,12S,13R)-2,4,6,10,12-ペンタメチル-3,5:9,11-ビス(2,4,6-トリメチルベンジリデンジオキシ)-8-メチレン-13-ヒドロキシテトラデカン酸
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： C40H58O7
Molecular formula furigana： C40-H58-O7
Molecular weight： 650.897
InChI： InChI=1S/C40H58O7/c1-19-14-21(3)32(22(4)15-19)39-44-34(28(10)36(46-39)27(9)31(13)41)25(7)18-26(8)35-29(11)37(30(12)38(42)43)47-40(45-35)33-23(5)16-20(2)17-24(33)6/h14-17,26-31,34-37,39-41H,7,18H2,1-6,8-13H3,(H,42,43)/t26-,27-,28-,29+,30+,31+,34-,35-,36-,37-,39?,40?/m0/s1
InChI key： JVUYAPPDKSRBME-LBTNCUPSSA-N
SMILES： C[C@@H](O)[C@H](C)[C@@H]1OC(O[C@H]([C@@H]1C)C(=C)C[C@H](C)[C@@H]1OC(O[C@H]([C@@H](C)C(=O)O)[C@@H]1C)c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
Systematic name  (3)：
  • (2R,3S,4R,5S,6S,9R,10R,11S,12S,13R)-2,4,6,10,12-ペンタメチル-3,5:9,11-ビス(2,4,6-トリメチルベンジリデンジオキシ)-8-メチレン-13-ヒドロキシテトラデカン酸
  • (2R)-2-[(4S,5R,6S)-6-[(2S)-4-[(4R,5R,6S)-6-[(2S,3R)-3-ヒドロキシブタン-2-イル]-5-メチル-2-(2,4,6-トリメチルフェニル)-1,3-ジオキサン-4-イル]ペンタ-4-エン-2-イル]-5-メチル-2-(2,4,6-トリメチルフェニル)-1,3-ジオキサン-4-イル]プロパン酸
  • (2R)-2-[(4S,5R,6S)-6-[(2S)-4-[(4R,5R,6S)-6-[(2S,3R)-3-hydroxybutan-2-yl]-5-methyl-2-(2,4,6-trimethylphenyl)-1,3-dioxan-4-yl]pent-4-en-2-yl]-5-methyl-2-(2,4,6-trimethylphenyl)-1,3-dioxan-4-yl]propanoic acid
Other name (1)：
  • (2R,3S,4R,5S,6S,9R,10R,11S,12S,13R)-2,4,6,10,12-Pentamethyl-3,5:9,11-bis(2,4,6-trimethylbenzylidenedioxy)-8-methylene-13-hydroxytetradecanoic acid
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