Chem
J-GLOBAL ID：200907035663883621   Nikkaji number：J2.048.047E

(2R,3S,4R,5S,6S,9R,10R,11S,12S,13R)-2,4,6,10,12-Pentamethyl-3,5-(isopropylidenedioxy)-8-methylene-9,11-(2,4,6-trimethylbenzylidenedioxy)-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-(イソプロピリデンジオキシ)-8-メチレン-9,11-(2,4,6-トリメチルベンジリデンジオキシ)-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： C33H52O7
Molecular formula furigana： C33-H52-O7
Molecular weight： 560.772
InChI： InChI=1S/C33H52O7/c1-16-13-17(2)26(18(3)14-16)32-37-27(22(7)29(38-32)21(6)25(10)34)19(4)15-20(5)28-23(8)30(24(9)31(35)36)40-33(11,12)39-28/h13-14,20-25,27-30,32,34H,4,15H2,1-3,5-12H3,(H,35,36)/t20-,21-,22-,23+,24+,25+,27-,28-,29-,30-,32?/m0/s1
InChI key： WSNHZIGMARAPBU-HKUZVPPLSA-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(C)(C)O[C@H]([C@@H](C)C(=O)O)[C@@H]1C)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-(イソプロピリデンジオキシ)-8-メチレン-9,11-(2,4,6-トリメチルベンジリデンジオキシ)-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]-2,2,5-トリメチル-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]-2,2,5-trimethyl-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-(isopropylidenedioxy)-8-methylene-9,11-(2,4,6-trimethylbenzylidenedioxy)-13-hydroxytetradecanoic acid
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