Chem
J-GLOBAL ID:200907001547999912
Nikkaji number:J1.835.770D
(2Z,4E)-3-Methyl-5-[(1R,8S)-1β-methyl-3β,8-dihydroxy-5β-(2 H3 )methyl-6-oxabicyclo[3.2.1]octane-8-yl]-2,4-pentadienoic acid
(2Z,4E)-3-メチル-5-[(1R,8S)-1β-メチル-3β,8-ジヒドロキシ-5β-(2 H3 )メチル-6-オキサビシクロ[3.2.1]オクタン-8-イル]-2,4-ペンタジエン酸
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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:
C15 H19 [2 H]3 O5
Molecular formula furigana:
C15-H22-O5
Molecular weight:
285.354
InChI:
InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-/t11-,13-,14-,15+/m1/s1/i3D3
InChI key:
XIVFQYWMMJWUCD-IJEUVHEMSA-N
SMILES:
C([2H])([2H])([2H])[C@]12C[C@H](O)C[C@](C)(CO1)[C@@]2(O)/C=C/C(=C\C(=O)O)/C
Systematic name (3):
(2Z,4E)-3-メチル-5-[(1R,8S)-1β-メチル-3β,8-ジヒドロキシ-5β-(2 H3 )メチル-6-オキサビシクロ[3.2.1]オクタン-8-イル]-2,4-ペンタジエン酸
(2Z,4E)-5-[(1R,3R,5R,8S)-3,8-ジヒドロキシ-5-(2 H3 )メチル-1-メチル-6-オキサビシクロ[3.2.1]オクタン-8-イル]-3-メチルペンタ-2,4-ジエン酸
(2Z,4E)-5-[(1R,3R,5R,8S)-3,8-dihydroxy-5-(2 H3 )methyl-1-methyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid
Other name (1):
(2Z,4E)-3-Methyl-5-[(1R,8S)-1β-methyl-3β,8-dihydroxy-5β-(2 H3 )methyl-6-oxabicyclo[3.2.1]octane-8-yl]-2,4-pentadienoic acid
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