Chem
J-GLOBAL ID：200907084328018313   Nikkaji number：J2.740.827C

Protoaphin aglucone

プロトアフィンアグリコン
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： C30H28O11
Molecular formula furigana： C30-H28-O11
Molecular weight： 564.543
InChI： InChI=1S/C30H28O11/c1-8-17-23(26(35)10(3)40-8)20(13-5-12(31)6-14(32)19(13)28(17)37)21-15(33)7-16(34)22-24(21)30(39)25-18(29(22)38)9(2)41-11(4)27(25)36/h5-11,26-27,31-37H,1-4H3/t8-,9-,10-,11-,26-,27-/m1/s1
InChI key： KLZOEWZFKUESNU-UYFDZFGUSA-N
SMILES： C[C@H]1O[C@H](C)C2=C([C@@H]1O)C(=O)c1c(C2=O)c(O)cc(O)c1c1c2[C@H](O)[C@@H](C)O[C@H](C)c2c(O)c2c(O)cc(O)cc12
Systematic name  (3)：
  • (1R)-6-(3,4-ジヒドロ-4β,7,9,10-テトラヒドロキシ-1β,3α-ジメチル-1H-ナフト[2,3-c]ピラン-5-イル)-3,4-ジヒドロ-4β,7,9-トリヒドロキシ-1β,3α-ジメチル-1H-ナフト[2,3-c]ピラン-5,10-ジオン
  • (1R,3R,4S)-4,7,9-トリヒドロキシ-1,3-ジメチル-6-[(1R,3R,4S)-4,7,9,10-テトラヒドロキシ-1,3-ジメチル-1H,3H,4H-ナフト[2,3-c]ピラン-5-イル]-1H,3H,4H,5H,10H-ナフト[2,3-c]ピラン-5,10-ジオン
  • (1R,3R,4S)-4,7,9-trihydroxy-1,3-dimethyl-6-[(1R,3R,4S)-4,7,9,10-tetrahydroxy-1,3-dimethyl-1H,3H,4H-naphtho[2,3-c]pyran-5-yl]-1H,3H,4H,5H,10H-naphtho[2,3-c]pyran-5,10-dione
Other name (5)：
  • (1R)-6-(3,4-Dihydro-4β,7,9,10-tetrahydroxy-1β,3α-dimethyl-1H-naphtho[2,3-c]pyran-5-yl)-3,4-dihydro-4β,7,9-trihydroxy-1β,3α-dimethyl-1H-naphtho[2,3-c]pyran-5,10-dione
  • Protoaphin aglucone
  • Protoaphin aglycone
  • プロトアフィンアグリコン
  • プロトアフィンアグルコン
KEGG COMPOUND： C02879
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