Chem
J-GLOBAL ID：201707019810154956   Nikkaji number：J3.580.606G

Chaetopenoid A

カエトペノイドA
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： C24H30O6
Molecular formula furigana： C24-H30-O6
Molecular weight： 414.498
InChI： InChI=1S/C24H30O6/c1-6-15(2)9-7-8-10-21(26)30-19-12-11-18-13-20(25)24(29,17(4)22(27)28)14-23(18,5)16(19)3/h7-13,15-16,19,29H,4,6,14H2,1-3,5H3,(H,27,28)/b9-7+,10-8+/t15?,16-,19-,23+,24+/m0/s1
InChI key： UAMUYXWJNMHHRV-DWBMWBPCSA-N
SMILES： CCC(C)/C=C/C=C/C(=O)O[C@H]1C=CC2=CC(=O)[C@@](O)(C[C@]2(C)[C@H]1C)C(=C)C(=O)O
Systematic name  (3)：
  • (2E,4E)-6-メチル-2,4-オクタジエン酸(3R)-3β-ヒドロキシ-3-(1-カルボキシビニル)-4aβ,5β-ジメチル-2-オキソ-2,3,4,4a,5,6-ヘキサヒドロナフタレン-6β-イル
  • 2-[(2R,7S,8R,8aR)-2-ヒドロキシ-8,8a-ジメチル-7-{[(2E,4E)-6-メチルオクタ-2,4-ジエノイル]オキシ}-3-オキソ-1,2,3,7,8,8a-ヘキサヒドロナフタレン-2-イル]プロパ-2-エン酸
  • 2-[(2R,7S,8R,8aR)-2-hydroxy-8,8a-dimethyl-7-{[(2E,4E)-6-methylocta-2,4-dienoyl]oxy}-3-oxo-1,2,3,7,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid
Other name (3)：
  • (2E,4E)-6-Methyl-2,4-octadienoic acid (3R)-3β-hydroxy-3-(1-carboxyvinyl)-4aβ,5β-dimethyl-2-oxo-2,3,4,4a,5,6-hexahydronaphthalene-6β-yl ester
  • カエトペノイドA
  • Chaetopenoid A
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