Chem
J-GLOBAL ID：200907051893682590   Nikkaji number：J305.298B

Gomisin B

ゴミシン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： C28H34O9
Molecular formula furigana： C28-H34-O9
Molecular weight： 514.571
InChI： InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9-/t15-,26-,28-/m0/s1
InChI key： BKGUPIVDQHHVMV-RZGKOBFOSA-N
SMILES： COc1cc2[C@H](OC(=O)/C(=C\C)/C)[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(OC)c3c2c(OC)c1OC
Systematic name  (4)：
  • (5S)-5,6,7,8-テトラヒドロ-1,2,3,13-テトラメトキシ-6,7β-ジメチルベンゾ[3,4]シクロオクタ[1,2-f][1,3]ベンゾジオキソール-5α,6β-ジオール5-[(Z)-2-メチル-2-ブテノアート]
  • (5S)-6α,7β-ジメチル-1,2,3,12-テトラメトキシ-10,11-メチレンジオキシ(5,6,7,8-テトラヒドロジベンゾ[a,c]シクロオクテン)-5α,6β-ジオール5-[(Z)-2-メチル-2-ブテノアート]
  • (8S,9S,10S)-9-ヒドロキシ-3,4,5,19-テトラメトキシ-9,10-ジメチル-15,17-ジオキサテトラシクロ[10.7.0.02,7.014,18]ノナデカ-1(19),2(7),3,5,12,14(18)-ヘキサエン-8-イル (2Z)-2-メチルブタ-2-エノアート
  • (8S,9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-8-yl (2Z)-2-methylbut-2-enoate
Other name (9)：
  • シサンテリンB
  • Schisantherin B
  • (5S)-6α,7β-Dimethyl-1,2,3,12-tetramethoxy-10,11-methylenedioxy(5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene)-5α,6β-diol 5-[(Z)-2-methyl-2-butenoate]
  • ゴミシンB
  • Gomisin B
Show all
CAS registry number： 58546-55-7
KEGG COMPOUND： C17814
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