Chem
J-GLOBAL ID：200907035868743067   Nikkaji number：J1.134.256F

Ilekudinol C

イレクジノールC
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： C30H52O3
Molecular formula furigana： C30-H52-O3
Molecular weight： 460.743
InChI： InChI=1S/C30H52O3/c1-19(2)20-9-13-29(17-31)16-15-27(5)21(25(20)29)7-8-23-28(27,6)12-10-22-26(3,4)24(33)11-14-30(22,23)18-32/h19-25,31-33H,7-18H2,1-6H3/t20-,21+,22-,23-,24-,25+,27+,28+,29+,30+/m0/s1
InChI key： JMNQTRJSJDWHIR-NNENYQEDSA-N
SMILES： CC(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(CO)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Systematic name  (3)：
  • 3β,25,28-ルパントリオール
  • (1S,3aS,5aR,5bR,7aR,9S,11aS,11bS,13aR,13bR)-3a,11a-ビス(ヒドロキシメチル)-5a,5b,8,8-テトラメチル-1-(プロパン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-9-オール
  • (1S,3aS,5aR,5bR,7aR,9S,11aS,11bS,13aR,13bR)-3a,11a-bis(hydroxymethyl)-5a,5b,8,8-tetramethyl-1-(propan-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-ol
Other name (3)：
  • 3β,25,28-Lupanetriol
  • イレクジノールC
  • Ilekudinol C
Thsaurus map：
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