Chem
J-GLOBAL ID：200907092811179347   Nikkaji number：J934.213C

Kobiin triacetate

コビイントリアセタート
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： C31H46O6
Molecular formula furigana： C31-H46-O6
Molecular weight： 514.703
InChI： InChI=1S/C31H46O6/c1-20(2)30-28-13-12-26(19-35-23(5)32)17-27(36-24(6)33)16-22(4)11-9-10-21(3)14-15-31(28,8)18-29(30)37-25(7)34/h11-13,17,20,27-30H,3,9-10,14-16,18-19H2,1-2,4-8H3/b13-12-,22-11+,26-17-/t27-,28+,29+,30+,31+/m0/s1
InChI key： NUCXDBLVHHHGHF-MJCWPGGDSA-N
SMILES： CC(C)[C@H]1[C@@H](C[C@@]2(C)CCC(=C)CC/C=C(\C)/C[C@H](OC(=O)C)/C=C(\COC(=O)C)/C=C\[C@H]12)OC(=O)C
Systematic name  (3)：
  • (2R,4Z,6Z,8S,10E)-3α-イソプロピル-6-(アセトキシメチル)-10,16aβ-ジメチル-14-メチレン-1,2,3,3aα,8,9,12,13,14,15,16,16a-ドデカヒドロシクロペンタシクロペンタデセン-2β,8-ジオールジアセタート
  • [(2R,3R,3aR,8S,16aR)-2,8-ビス(アセチルオキシ)-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-6-イル]メチル アセタート
  • [(2R,3R,3aR,8S,16aR)-2,8-bis(acetyloxy)-10,16a-dimethyl-14-methylidene-3-(propan-2-yl)-1H,2H,3H,3aH,8H,9H,12H,13H,14H,15H,16H,16aH-cyclopenta[15]annulen-6-yl]methyl acetate
Other name (3)：
  • コビイントリアセタート
  • Kobiin triacetate
  • (2R,4Z,6Z,8S,10E)-3α-Isopropyl-6-(acetoxymethyl)-10,16aβ-dimethyl-14-methylene-1,2,3,3aα,8,9,12,13,14,15,16,16a-dodecahydrocyclopentacyclopentadecene-2β,8-diol diacetate
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