Chem
J-GLOBAL ID：200907046851457003   Nikkaji number：J1.679.693J

Dictyterpenoid B

ジクチテルペノイド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： C20H28O2
Molecular formula furigana： C20-H28-O2
Molecular weight： 300.442
InChI： InChI=1S/C20H28O2/c1-12(2)6-5-7-13(3)15-8-9-20(11-21)16-10-17(22)18(14(16)4)19(15)20/h6-9,14-16,18-19,21H,5,10-11H2,1-4H3/b13-7-/t14-,15+,16+,18+,19+,20+/m1/s1
InChI key： HLYBNTWYUNHCTJ-BPBWWBTBSA-N
SMILES： C[C@@H]1[C@@H]2CC(=O)[C@H]1[C@@H]1[C@@H](C=C[C@]21CO)/C(=C\CC=C(C)C)/C
Systematic name  (3)：
  • (1S,2S,5R,6S,7R,10R)-2-(ヒドロキシメチル)-5-[(1Z)-1,5-ジメチル-1,4-ヘキサジエニル]-10-メチルトリシクロ[5.2.1.02,6]デカ-3-エン-8-オン
  • (1S,2S,5R,6S,7R,10R)-2-(ヒドロキシメチル)-10-メチル-5-[(2Z)-6-メチルヘプタ-2,5-ジエン-2-イル]トリシクロ[5.2.1.02,6]デカ-3-エン-8-オン
  • (1S,2S,5R,6S,7R,10R)-2-(hydroxymethyl)-10-methyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.2.1.02,6]dec-3-en-8-one
Other name (3)：
  • (1S,2S,5R,6S,7R,10R)-2-(Hydroxymethyl)-5-[(1Z)-1,5-dimethyl-1,4-hexadienyl]-10-methyltricyclo[5.2.1.02,6]deca-3-ene-8-one
  • ジクチテルペノイドB
  • Dictyterpenoid B
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