Chem
J-GLOBAL ID：201607002685113587   Nikkaji number：J3.501.662G

Penicyrone B

ペニシロンB
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： C24H34O7
Molecular formula furigana： C24-H34-O7
Molecular weight： 434.529
InChI： InChI=1S/C24H34O7/c1-12(10-22(6,27)19-14(3)18(28-9)15(4)20(26)29-19)17(25)13(2)11-23(7)21-24(8,31-21)16(5)30-23/h10-11,16-17,21,25,27H,1-9H3/b12-10+,13-11+/t16-,17+,21+,22+,23+,24-/m1/s1
InChI key： YAEGHQJYDLCTMR-XYYSYIPASA-N
SMILES： COc1c(C)c(oc(=O)c1C)[C@@](C)(O)/C=C(\C)/[C@H](O)/C(=C/[C@]1(C)O[C@H](C)[C@@]2(C)O[C@@H]12)/C
Systematic name  (3)：
  • 4-メトキシ-3,5-ジメチル-6-[(1S,2E,4S,5E)-1,3,5-トリメチル-1,4-ジヒドロキシ-6-[(1R,2R,4S,5S)-1,2,4-トリメチル-3,6-ジオキサビシクロ[3.1.0]ヘキサン-4-イル]-2,5-ヘキサジエニル]-2H-ピラン-2-オン
  • 6-[(2S,3E,5S,6E)-2,5-ジヒドロキシ-4,6-ジメチル-7-[(1S,2S,4R,5R)-2,4,5-トリメチル-3,6-ジオキサビシクロ[3.1.0]ヘキサン-2-イル]ヘプタ-3,6-ジエン-2-イル]-4-メトキシ-3,5-ジメチル-2H-ピラン-2-オン
  • 6-[(2S,3E,5S,6E)-2,5-dihydroxy-4,6-dimethyl-7-[(1S,2S,4R,5R)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethyl-2H-pyran-2-one
Other name (3)：
  • 4-Methoxy-3,5-dimethyl-6-[(1S,2E,4S,5E)-1,3,5-trimethyl-1,4-dihydroxy-6-[(1R,2R,4S,5S)-1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexane-4-yl]-2,5-hexadienyl]-2H-pyran-2-one
  • ペニシロンB
  • Penicyrone B
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