Chem
J-GLOBAL ID：200907093630477784   Nikkaji number：J8.251A

Cimigenol

シミゲノール
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： C30H48O5
Molecular formula furigana： C30-H48-O5
Molecular weight： 488.709
InChI： InChI=1S/C30H48O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h16-23,31-33H,8-15H2,1-7H3/t16-,17-,18+,19+,20+,21-,22+,23-,26-,27-,28-,29+,30+/m1/s1
InChI key： CNBHUROFMYCHGI-IEUUZZHOSA-N
SMILES： C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46CC[C@]2(C)[C@@H]13)CC[C@H](O)C5(C)C
Systematic name  (3)：
  • (23R,24S)-16β,23:16α,24-ジエポキシ-9β,19-シクロ-5α-ラノスタン-3β,15α,25-トリオール
  • (1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-ヒドロキシプロパン-2-イル)-3,8,8,17,19-ペンタメチル-23,24-ジオキサヘプタシクロ[19.2.1.01,18.03,17.04,14.07,12.012,14]テトラコサン-2,9-ジオール
  • (1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosane-2,9-diol
Other name (7)：
  • シミゲノール
  • シミシフゴール
  • Cimigenol
  • Cimicifugol
  • (23R,24S)-16β,23:16α,24-Diepoxy-9β,19-cyclo-5α-lanostane-3β,15α,25-triol
Show all
CAS registry number： 3779-59-7
KEGG COMPOUND： C17538
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