Chem
J-GLOBAL ID：200907062170786136   Nikkaji number：J643.881D

Ophiobolin I

オフィオボリンI
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： C25H36O3
Molecular formula furigana： C25-H36-O3
Molecular weight： 384.560
InChI： InChI=1S/C25H36O3/c1-15(2)10-19-12-17(4)25(28-19)9-8-24(5)13-20-16(3)11-21(27)23(20)18(14-26)6-7-22(24)25/h6,10-11,17,19-20,22-23,26H,7-9,12-14H2,1-5H3/t17-,19-,20+,22+,23-,24+,25-/m0/s1
InChI key： PWHAYWTWJLFKJT-SNGSTBHLSA-N
SMILES： C[C@H]1C[C@@H](O[C@]21CC[C@]1(C)C[C@H]3[C@@H](C(=O)C=C3C)C(=CC[C@@H]21)CO)C=C(C)C
Systematic name  (3)：
  • (6α,18R)-14,18-エポキシ-25-ヒドロキシオフィオボラ-3,7,19-トリエン-5-オン
  • (1'S,2S,3S,3'R,5R,7'R,11'R)-10'-(ヒドロキシメチル)-3,3',14'-トリメチル-5-(2-メチルプロパ-1-エン-1-イル)スピロ[オキソラン-2,6'-トリシクロ[9.3.0.03,7]テトラデカン]-9',13'-ジエン-12'-オン
  • (1'S,2S,3S,3'R,5R,7'R,11'R)-10'-(hydroxymethyl)-3,3',14'-trimethyl-5-(2-methylprop-1-en-1-yl)spiro[oxolane-2,6'-tricyclo[9.3.0.03,7]tetradecane]-9',13'-dien-12'-one
Other name (2)：
  • オフィオボリンI
  • Ophiobolin I
CAS registry number： 110013-85-9
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