Chem
J-GLOBAL ID:200907057840006931
Nikkaji number:J2.213.316K
Stearic acid 3-[(2E,6E,10E,14R)-3,7,11,15-tetramethyl-14,15-dihydroxy-2,6,10-hexadecatrienyl]-4-hydroxy-5-methylphenyl ester
ステアリン酸3-[(2E,6E,10E,14R)-3,7,11,15-テトラメチル-14,15-ジヒドロキシ-2,6,10-ヘキサデカトリエニル]-4-ヒドロキシ-5-メチルフェニル
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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:
C45 H76 O5
Molecular formula furigana:
C45-H76-O5
Molecular weight:
697.098
InChI:
InChI=1S/C45H76O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-43(47)50-41-34-39(5)44(48)40(35-41)32-30-37(3)27-23-25-36(2)26-24-28-38(4)31-33-42(46)45(6,7)49/h25,28,30,34-35,42,46,48-49H,8-24,26-27,29,31-33H2,1-7H3/b36-25+,37-30+,38-28+/t42-/m1/s1
InChI key:
YVTWMXKCUAEHMK-GYXVHOMZSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)Oc1cc(C)c(O)c(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC[C@@H](O)C(C)(C)O)c1
Systematic name (3):
ステアリン酸3-[(2E,6E,10E,14R)-3,7,11,15-テトラメチル-14,15-ジヒドロキシ-2,6,10-ヘキサデカトリエニル]-4-ヒドロキシ-5-メチルフェニル
3-[(2E,6E,10E,14R)-14,15-ジヒドロキシ-3,7,11,15-テトラメチルヘキサデカ-2,6,10-トリエン-1-イル]-4-ヒドロキシ-5-メチルフェニル オクタデカノアート
3-[(2E,6E,10E,14R)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trien-1-yl]-4-hydroxy-5-methylphenyl octadecanoate
Other name (1):
Stearic acid 3-[(2E,6E,10E,14R)-3,7,11,15-tetramethyl-14,15-dihydroxy-2,6,10-hexadecatrienyl]-4-hydroxy-5-methylphenyl ester
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