Chem
J-GLOBAL ID：200907025333336971   Nikkaji number：J999.561G

25-O-Acetylcimigenol

25-O-アセチルシミゲノール
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： C32H50O6
Molecular formula furigana： C32-H50-O6
Molecular weight： 530.746
InChI： InChI=1S/C32H50O6/c1-17-15-19-24(27(5,6)36-18(2)33)38-32(37-19)23(17)28(7)13-14-31-16-30(31)12-11-22(34)26(3,4)20(30)9-10-21(31)29(28,8)25(32)35/h17,19-25,34-35H,9-16H2,1-8H3/t17-,19-,20+,21+,22+,23-,24+,25-,28-,29-,30-,31+,32+/m1/s1
InChI key： CDYZCRTUEJYWRD-YUWWPCCRSA-N
SMILES： C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)OC(=O)C)[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25-アセタート
  • 2-[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2,9-ジヒドロキシ-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-22-イル]プロパン-2-イル アセタート
  • 2-[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2,9-dihydroxy-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-22-yl]propan-2-yl acetate
Other name (3)：
  • (23R,24S)-16β,23:16α,24-Diepoxy-9β,19-cyclo-5α-lanostane-3β,15α,25-triol 25-acetate
  • 25-O-アセチルシミゲノール
  • 25-O-Acetylcimigenol
Thsaurus map：
Thesaurus Map

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