Chem
J-GLOBAL ID:201307070574733562
Nikkaji number:J3.182.169J
TTYN-11
(2S)-3-[4-(3-{4-[(2R)-2-ヒドロキシ-3,3-ジメチルブトキシ]フェニル}ペンタン-3-イル)フェノキシ]プロパン-1,2-ジオール
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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:
C26 H38 O5
Molecular formula furigana:
C26-H38-O5
Molecular weight:
430.585
InChI:
InChI=1S/C26H38O5/c1-6-26(7-2,19-8-12-22(13-9-19)30-17-21(28)16-27)20-10-14-23(15-11-20)31-18-24(29)25(3,4)5/h8-15,21,24,27-29H,6-7,16-18H2,1-5H3/t21-,24-/m0/s1
InChI key:
HPEKDMRENBLBLH-URXFXBBRSA-N
SMILES:
CCC(CC)(c1ccc(OC[C@@H](O)CO)cc1)c1ccc(OC[C@H](O)C(C)(C)C)cc1
Systematic name (3):
(2S)-3-[4-[1-[4-[(2R)-2-ヒドロキシ-3,3-ジメチルブトキシ]フェニル]-1-エチルプロピル]フェノキシ]-1,2-プロパンジオール
(2S)-3-[4-(3-{4-[(2R)-2-ヒドロキシ-3,3-ジメチルブトキシ]フェニル}ペンタン-3-イル)フェノキシ]プロパン-1,2-ジオール
(2S)-3-[4-(3-{4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]phenyl}pentan-3-yl)phenoxy]propane-1,2-diol
Other name (2):
(2S)-3-[4-[1-[4-[(2R)-2-Hydroxy-3,3-dimethylbutoxy]phenyl]-1-ethylpropyl]phenoxy]-1,2-propanediol
TTYN-11
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