Chem
J-GLOBAL ID：200907031308496131   Nikkaji number：J1.222.284J

Kotalagenin 16-acetate

コタラゲニン16-アセタート
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： C32H50O5
Molecular formula furigana： C32-H50-O5
Molecular weight： 514.746
InChI： InChI=1S/C32H50O5/c1-19-21(35)15-22(36)26-28(19,5)10-9-23-30(26,7)13-14-31(8)24-16-27(3,4)11-12-29(24,6)25(37-20(2)34)17-32(23,31)18-33/h19,23-26,33H,9-18H2,1-8H3/t19-,23-,24+,25-,26+,28+,29-,30+,31-,32-/m0/s1
InChI key： LGNUPYROIAIKBW-JZRAMSOSSA-N
SMILES： C[C@H]1C(=O)CC(=O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)[C@H](C[C@]12CO)OC(=O)C
Systematic name  (3)：
  • 酢酸1,3-ジオキソ-26-ヒドロキシフリーデラン-16β-イル
  • (4aS,5S,6aS,6bS,8aR,9R,12aS,12bR,14aS,14bS)-6a-(ヒドロキシメチル)-2,2,4a,8a,9,12b,14a-ヘプタメチル-10,12-ジオキソ-ドコサヒドロピセン-5-イル アセタート
  • (4aS,5S,6aS,6bS,8aR,9R,12aS,12bR,14aS,14bS)-6a-(hydroxymethyl)-2,2,4a,8a,9,12b,14a-heptamethyl-10,12-dioxo-docosahydropicen-5-yl acetate
Other name (3)：
  • Acetic acid 1,3-dioxo-26-hydroxyfriedelane-16β-yl ester
  • コタラゲニン16-アセタート
  • Kotalagenin 16-acetate
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