Chem
J-GLOBAL ID：200907059069209739   Nikkaji number：J40.422E

Ophiobolin H

オフィオボリンH
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： C25H38O3
Molecular formula furigana： C25-H38-O3
Molecular weight： 386.576
InChI： InChI=1S/C25H38O3/c1-16(2)7-6-8-17(3)19-11-12-23(4)13-21-22-18(9-10-20(19)23)14-28-25(22,27)15-24(21,5)26/h6-9,17,19-22,26-27H,10-15H2,1-5H3/b8-6-,18-9-/t17-,19+,20-,21-,22-,23+,24+,25+/m0/s1
InChI key： IBUCSLMTZXQXRS-AUSKLCKPSA-N
SMILES： C[C@@H](/C=C\C=C(C)C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H]4C(=CC[C@@H]12)CO[C@]4(O)C[C@@]3(C)O
Systematic name  (4)：
  • (6α,17Z)-5β,25-エポキシオフィオボラ-7,17,19-トリエン-3,5-ジオール
  • (1R)-7β-[(1S,2Z)-1,5-ジメチル-2,4-ヘキサジエニル]-1,9aβ-ジメチル-2,2a,4,6,6aα,7,8,9,9a,10,10aβ,10bα-ドデカヒドロ-1H-3-オキサシクロペンタ[5,6]シクロオクタ[1,2,3-cd]ペンタレン-1α,2aα-ジオール
  • (1S,3R,6R,7S,9E,13R,15R,16R)-3,15-ジメチル-6-[(2S,3Z)-6-メチルヘプタ-3,5-ジエン-2-イル]-12-オキサテトラシクロ[8.5.1.03,7.013,16]ヘキサデカ-9-エン-13,15-ジオール
  • (1S,3R,6R,7S,9E,13R,15R,16R)-3,15-dimethyl-6-[(2S,3Z)-6-methylhepta-3,5-dien-2-yl]-12-oxatetracyclo[8.5.1.03,7.013,16]hexadec-9-ene-13,15-diol
Other name (4)：
  • オフィオボリンH
  • Ophiobolin H
  • (6α,17Z)-5β,25-Epoxyophiobola-7,17,19-triene-3,5-diol
  • (1R)-7β-[(1S,2Z)-1,5-Dimethyl-2,4-hexadienyl]-1,9aβ-dimethyl-2,2a,4,6,6aα,7,8,9,9a,10,10aβ,10bα-dodecahydro-1H-3-oxacyclopenta[5,6]cycloocta[1,2,3-cd]pentalene-1α,2aα-diol
CAS registry number： 90108-64-8
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