Chem
J-GLOBAL ID：200907073451220842   Nikkaji number：J2.776.480K

(S)-2-Methylbutanoic acid [8β-[2-(tetrahydro-4β-hydroxy-6-oxo-2H-pyran-2α-yl)ethyl]-7β-methyl-1,2,3,7,8,8aβ-hexahydronaphthalene-1α-yl] ester

(S)-2-メチルブタン酸[8β-[2-(テトラヒドロ-4β-ヒドロキシ-6-オキソ-2H-ピラン-2α-イル)エチル]-7β-メチル-1,2,3,7,8,8aβ-ヘキサヒドロナフタレン-1α-イル]
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： C23H34O5
Molecular formula furigana： C23-H34-O5
Molecular weight： 390.520
InChI： InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15+,17+,18+,19+,20+,22+/m0/s1
InChI key： AJLFOPYRIVGYMJ-WZYHVKEFSA-N
SMILES： CC[C@H](C)C(=O)O[C@@H]1CCC=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]12
Systematic name  (3)：
  • (S)-2-メチルブタン酸[8β-[2-(テトラヒドロ-4β-ヒドロキシ-6-オキソ-2H-ピラン-2α-イル)エチル]-7β-メチル-1,2,3,7,8,8aβ-ヘキサヒドロナフタレン-1α-イル]
  • (1R,7R,8R,8aS)-8-{2-[(2R,4R)-4-ヒドロキシ-6-オキソオキサン-2-イル]エチル}-7-メチル-1,2,3,7,8,8a-ヘキサヒドロナフタレン-1-イル (2S)-2-メチルブタノアート
  • (1R,7R,8R,8aS)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate
Other name (1)：
  • (S)-2-Methylbutanoic acid [8β-[2-(tetrahydro-4β-hydroxy-6-oxo-2H-pyran-2α-yl)ethyl]-7β-methyl-1,2,3,7,8,8aβ-hexahydronaphthalene-1α-yl] ester
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