Chem
J-GLOBAL ID：200907036167307439   Nikkaji number：J919.042B

Kobiin

コビイン
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： C25H40O3
Molecular formula furigana： C25-H40-O3
Molecular weight： 388.592
InChI： InChI=1S/C25H40O3/c1-17(2)24-22-10-9-20(16-26)14-21(27)13-19(4)8-6-7-18(3)11-12-25(22,5)15-23(24)28/h8-10,14,17,21-24,26-28H,3,6-7,11-13,15-16H2,1-2,4-5H3/b10-9-,19-8+,20-14-/t21-,22+,23+,24+,25+/m0/s1
InChI key： INZNBTRIPSMDBL-DTYSAGSOSA-N
SMILES： CC(C)[C@H]1[C@H](O)C[C@@]2(C)CCC(=C)CC/C=C(\C)/C[C@H](O)/C=C(\CO)/C=C\[C@H]12
Systematic name  (3)：
  • (1R,2Z,4Z,6S,8E,15R,17R,18R)-4-(ヒドロキシメチル)-8,15-ジメチル-12-メチレン-18-イソプロピルビシクロ[13.3.0]オクタデカ-2,4,8-トリエン-6,17-ジオール
  • (2R,3R,3aR,8S,16aR)-6-(ヒドロキシメチル)-10,16a-ジメチル-14-メチリデン-3-(プロパン-2-イル)-1H,2H,3H,3aH,8H,9H,12H,13H,14H,15H,16H,16aH-シクロペンタ[15]アンヌレン-2,8-ジオール
  • (2R,3R,3aR,8S,16aR)-6-(hydroxymethyl)-10,16a-dimethyl-14-methylidene-3-(propan-2-yl)-1H,2H,3H,3aH,8H,9H,12H,13H,14H,15H,16H,16aH-cyclopenta[15]annulene-2,8-diol
Other name (3)：
  • コビイン
  • Kobiin
  • (1R,2Z,4Z,6S,8E,15R,17R,18R)-4-(Hydroxymethyl)-8,15-dimethyl-12-methylene-18-isopropylbicyclo[13.3.0]octadeca-2,4,8-triene-6,17-diol
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