Chem
J-GLOBAL ID：200907000290205140   Nikkaji number：J1.521.423F

Shiraiachrome A

シライアクロム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： C30H26O10
Molecular formula furigana： C30-H26-O10
Molecular weight： 546.528
InChI： InChI=1S/C30H26O10/c1-10(31)25-24-22-16-11(9-30(25,2)36)28(39-5)26(34)17-12(32)7-14(37-3)19(21(16)17)20-15(38-4)8-13(33)18(23(20)22)27(35)29(24)40-6/h7-8,25,32-33,36H,9H2,1-6H3/t25-,30-/m0/s1
InChI key： BQJKVFXDDMQLBE-QCDSWUKFSA-N
SMILES： COc1cc(O)c2c3c1c1c(OC)cc(O)c4c1c1C(=C(OC)C4=O)[C@H](C(=O)C)[C@@](C)(O)CC(=C(OC)C2=O)c31
Systematic name  (3)：
  • 1α-アセチル-2,3-ジヒドロ-2β,6,11-トリヒドロキシ-4,8,9,13-テトラメトキシ-2-メチル-1H-シクロヘプタ[ghi]ペリレン-5,12-ジオン
  • (12S,13S)-12-アセチル-7,13,19-トリヒドロキシ-5,10,16,21-テトラメトキシ-13-メチルヘキサシクロ[13.8.0.02,11.03,8.04,22.018,23]トリコサ-1,3,5,7,10,15,18,20,22-ノナエン-9,17-ジオン
  • (12S,13S)-12-acetyl-7,13,19-trihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3,5,7,10,15,18,20,22-nonaene-9,17-dione
Other name (3)：
  • 1α-Acetyl-2,3-dihydro-2β,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-1H-cyclohepta[ghi]perylene-5,12-dione
  • Shiraiachrome A
  • シライアクロムA
CAS registry number： 124709-39-3
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