Chem
J-GLOBAL ID：200907027710821998   Nikkaji number：J17.452A

Cotylenol

コチレノール
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： C21H34O4
Molecular formula furigana： C21-H34-O4
Molecular weight： 350.499
InChI： InChI=1S/C21H34O4/c1-12(2)14-6-8-20(4)10-16-15(7-9-21(16,24)11-25-5)13(3)18(22)19(23)17(14)20/h10,12-13,15,18-19,22-24H,6-9,11H2,1-5H3/b16-10+/t13-,15+,18-,19-,20-,21+/m1/s1
InChI key： AKKFAKCBIIOLLX-LQQINCHMSA-N
SMILES： COC[C@@]1(O)CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O)C3=C(CC[C@]3(C)C=C12)C(C)C
Systematic name  (3)：
  • (1R)-1,2,3,3aα,4,5,6,8,9,9a-デカヒドロ-7-イソプロピル-1-メトキシメチル-4β,9aβ-ジメチルジシクロペンタ[a,d]シクロオクテン-1α,5β,6α-トリオール
  • (1R,2E,4R,7S,8R,9R,10R)-4-(メトキシメチル)-1,8-ジメチル-12-(プロパン-2-イル)トリシクロ[9.3.0.03,7]テトラデカ-2,11-ジエン-4,9,10-トリオール
  • (1R,2E,4R,7S,8R,9R,10R)-4-(methoxymethyl)-1,8-dimethyl-12-(propan-2-yl)tricyclo[9.3.0.03,7]tetradeca-2,11-diene-4,9,10-triol
Other name (3)：
  • コチレノール
  • Cotylenol
  • (1R)-1,2,3,3aα,4,5,6,8,9,9a-Decahydro-7-isopropyl-1-methoxymethyl-4β,9aβ-dimethyldicyclopenta[a,d]cyclooctene-1α,5β,6α-triol
CAS registry number： 41059-90-9
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