Chem
J-GLOBAL ID：201607004273743961   Nikkaji number：J3.470.403A

(-)-Callophycoic acid A

(-)-カロフィコ酸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： C27H35BrO3
Molecular formula furigana： C27-H35-BR-O3
Molecular weight： 487.478
InChI： InChI=1S/C27H35BrO3/c1-18(2)7-5-8-19(3)9-6-14-27(4)23-16-22-15-20(26(29)30)10-12-24(22)31-17-21(23)11-13-25(27)28/h7,9-12,15,23,25H,5-6,8,13-14,16-17H2,1-4H3,(H,29,30)/t23-,25+,27+/m1/s1
InChI key： UWOQPCLHJDMFFV-NIYJGHKDSA-N
SMILES： CC(=CCCC(=CCC[C@]1(C)[C@@H](Br)CC=C2COc3ccc(cc3C[C@@H]12)C(=O)O)C)C
Systematic name  (3)：
  • (9S)-9α-ブロモ-10α-メチル-10-(4,8-ジメチル-3,7-ノナジエニル)-6,8,9,10,10aβ,11-ヘキサヒドロジベンゾ[b,e]オキセピン-2-カルボン酸
  • (1R,14S,15S)-14-ブロモ-15-(4,8-ジメチルノナ-3,7-ジエン-1-イル)-15-メチル-9-オキサトリシクロ[9.4.0.03,8]ペンタデカ-3,5,7,11-テトラエン-5-カルボン酸
  • (1R,14S,15S)-14-bromo-15-(4,8-dimethylnona-3,7-dien-1-yl)-15-methyl-9-oxatricyclo[9.4.0.03,8]pentadeca-3,5,7,11-tetraene-5-carboxylic acid
Other name (3)：
  • (9S)-9α-Bromo-10α-methyl-10-(4,8-dimethyl-3,7-nonadienyl)-6,8,9,10,10aβ,11-hexahydrodibenzo[b,e]oxepin-2-carboxylic acid
  • (-)-カロフィコ酸A
  • (-)-Callophycoic acid A
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