Chem
J-GLOBAL ID：200907001315043723   Nikkaji number：J1.944.838J

CT-2108A

(3S)-3-ヒドロキシブタン酸(7S)-3-(1,3,5-ヘプタトリエニル)-6,8-ジオキソ-7-メチル-7,8-ジヒドロ-6H-1,8a-エポキシ-1H-2-ベンゾピラン-7-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： C21H22O7
Molecular formula furigana： C21-H22-O7
Molecular weight： 386.400
InChI： InChI=1S/C21H22O7/c1-4-5-6-7-8-9-15-11-14-12-16(23)20(3,27-17(24)10-13(2)22)18(25)21(14)19(26-15)28-21/h4-9,11-13,19,22H,10H2,1-3H3/t13-,19?,20-,21?/m0/s1
InChI key： DHOBWLDZMMCUPR-MYDUYZGFSA-N
SMILES： CC=CC=CC=CC1=CC2=CC(=O)[C@](C)(OC(=O)C[C@H](C)O)C(=O)C32OC3O1
Systematic name  (3)：
  • (3S)-3-ヒドロキシブタン酸(7S)-3-(1,3,5-ヘプタトリエニル)-6,8-ジオキソ-7-メチル-7,8-ジヒドロ-6H-1,8a-エポキシ-1H-2-ベンゾピラン-7-イル
  • (7S)-3-(ヘプタ-1,3,5-トリエン-1-イル)-7-メチル-6,8-ジオキソ-1aH,6H,7H,8H-オキシレノ[2,3-f307696]イソクロメン-7-イル (3S)-3-ヒドロキシブタノアート
  • (7S)-3-(hepta-1,3,5-trien-1-yl)-7-methyl-6,8-dioxo-1aH,6H,7H,8H-oxireno[2,3-f307696]isochromen-7-yl (3S)-3-hydroxybutanoate
Other name (2)：
  • (3S)-3-Hydroxybutanoic acid (7S)-3-(1,3,5-heptatrienyl)-6,8-dioxo-7-methyl-7,8-dihydro-6H-1,8a-epoxy-1H-2-benzopyran-7-yl ester
  • CT-2108A
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