Chem
J-GLOBAL ID:200907048390672589   Nikkaji number:J1.145.763K

(2E)-3-Methyl-4-[(2S)-3α,4β-dihydroxy-5β-[(E)-2-hexenyl]tetrahydro-2H-pyran-2β-yl]-2-butenoic acid octyl ester

(2E)-3-メチル-4-[(2S)-3α,4β-ジヒドロキシ-5β-[(E)-2-ヘキセニル]テトラヒドロ-2H-ピラン-2β-イル]-2-ブテン酸オクチル
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: C24H42O5
Molecular formula furigana: C24-H42-O5
Molecular weight: 410.595
InChI: InChI=1S/C24H42O5/c1-4-6-8-10-11-13-15-28-22(25)17-19(3)16-21-24(27)23(26)20(18-29-21)14-12-9-7-5-2/h9,12,17,20-21,23-24,26-27H,4-8,10-11,13-16,18H2,1-3H3/b12-9+,19-17+/t20-,21-,23-,24-/m0/s1
InChI key: QPPTWQLOZJYQMH-XMZVEWBISA-N
SMILES: CCCCCCCCOC(=O)/C=C(\C)/C[C@@H]1OC[C@H](C/C=C/CCC)[C@H](O)[C@H]1O
Systematic name  (3):
  • (2E)-3-メチル-4-[(2S)-3α,4β-ジヒドロキシ-5β-[(E)-2-ヘキセニル]テトラヒドロ-2H-ピラン-2β-イル]-2-ブテン酸オクチル
  • オクチル (2E)-4-[(2S,3R,4S,5S)-5-[(2E)-ヘキサ-2-エン-1-イル]-3,4-ジヒドロキシオキサン-2-イル]-3-メチルブタ-2-エノアート
  • octyl (2E)-4-[(2S,3R,4S,5S)-5-[(2E)-hex-2-en-1-yl]-3,4-dihydroxyoxan-2-yl]-3-methylbut-2-enoate
Other name (1):
  • (2E)-3-Methyl-4-[(2S)-3α,4β-dihydroxy-5β-[(E)-2-hexenyl]tetrahydro-2H-pyran-2β-yl]-2-butenoic acid octyl ester
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