Chem
J-GLOBAL ID：201707015024134733   Nikkaji number：J3.531.077K

Dysiherbol B

ジシヘルボール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： C21H30O4
Molecular formula furigana： C21-H30-O4
Molecular weight： 346.467
InChI： InChI=1S/C21H30O4/c1-12-7-9-19(3)20(4,25)16(24)8-10-21(19)17-13(11-18(12,21)2)14(22)5-6-15(17)23/h5-6,12,16,22-25H,7-11H2,1-4H3/t12-,16+,18+,19+,20+,21+/m1/s1
InChI key： QPSRERDGEWLCSV-VEAFNOERSA-N
SMILES： C[C@@H]1CC[C@]2(C)[C@@]3(CC[C@H](O)[C@]2(C)O)c2c(C[C@@]13C)c(O)ccc2O
Systematic name  (3)：
  • (3S,12S)-3,4α,7α,8α-テトラメチルテトラシクロ[11.4.0.03,12.07,12]ヘプタデカン-1(13),14,16-トリエン-8,9β,14,17-テトラオール
  • (3S,4R,4aR,7R,7aS,12bS)-4,4a,7,7a-テトラメチル-1H,2H,3H,4H,4aH,5H,6H,7H,7aH,8H-シクロヘキサ[f]フルオレン-3,4,9,12-テトラオール
  • (3S,4R,4aR,7R,7aS,12bS)-4,4a,7,7a-tetramethyl-1H,2H,3H,4H,4aH,5H,6H,7H,7aH,8H-cyclohexa[f]fluorene-3,4,9,12-tetrol
Other name (3)：
  • (3S,12S)-3,4α,7α,8α-Tetramethyltetracyclo[11.4.0.03,12.07,12]heptadecane-1(13),14,16-triene-8,9β,14,17-tetraol
  • ジシヘルボールB
  • Dysiherbol B
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