Chem
J-GLOBAL ID：200907004936171325   Nikkaji number：J1.134.254J

Ilekudinol A

イレクジノールA
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： C29H42O4
Molecular formula furigana： C29-H42-O4
Molecular weight： 454.651
InChI： InChI=1S/C29H42O4/c1-16-7-11-28-14-13-27(6)26(5)10-8-19-18(3)22(31)20(30)15-25(19,4)21(26)9-12-29(27,33-24(28)32)23(28)17(16)2/h9,12,16-17,19-23,30-31H,3,7-8,10-11,13-15H2,1-2,4-6H3/t16-,17+,19+,20-,21-,22-,23-,25+,26-,27+,28+,29+/m1/s1
InChI key： ATPPQNYORHPCJE-OUZPOPPESA-N
SMILES： C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)C[C@@H](O)[C@H](O)C(=C)[C@@H]5CC[C@@]42C)[C@@H]3[C@H]1C
Systematic name  (3)：
  • 2α,3β,13β-トリヒドロキシ-24-ノルウルサ-4(23),11-ジエン-28-酸γ-ラクトン
  • (1S,4S,5R,8R,10R,11R,13S,14R,17S,18R,19S,20R)-10,11-ジヒドロキシ-4,5,13,19,20-ペンタメチル-9-メチリデン-24-オキサヘキサシクロ[15.5.2.01,18.04,17.05,14.08,13]テトラコサ-15-エン-23-オン
  • (1S,4S,5R,8R,10R,11R,13S,14R,17S,18R,19S,20R)-10,11-dihydroxy-4,5,13,19,20-pentamethyl-9-methylidene-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-23-one
Other name (3)：
  • 2α,3β,13β-Trihydroxy-24-norurs-4(23),11-diene-28-oic acid γ-lactone
  • イレクジノールA
  • Ilekudinol A
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