Chem
J-GLOBAL ID：200907040203969734   Nikkaji number：J2.420.534G

3β-Acetoxy-12α-chloro-13-hydroxyoleanane-28-oic acid lactone

3β-アセトキシ-12α-クロロ-13-ヒドロキシオレアナン-28-酸ラクトン
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： C32H49ClO4
Molecular formula furigana： C32-H49-CL-O4
Molecular weight： 533.190
InChI： InChI=1S/C32H49ClO4/c1-19(34)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(33)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24H,9-18H2,1-8H3/t20-,21+,22+,23-,24-,28-,29+,30-,31-,32+/m0/s1
InChI key： ANSHGOYVDXBEBI-KXNUYETHSA-N
SMILES： CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@H](Cl)[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@@H]25)CC[C@@]34C)C1(C)C
Systematic name  (3)：
  • 3β-アセトキシ-12α-クロロ-13-ヒドロキシオレアナン-28-酸ラクトン
  • (1S,4S,5R,8R,10S,13R,14R,16S,17S,18R)-16-クロロ-4,5,9,9,13,20,20-ヘプタメチル-23-オキソ-24-オキサヘキサシクロ[15.5.2.01,18.04,17.05,14.08,13]テトラコサン-10-イル アセタート
  • (1S,4S,5R,8R,10S,13R,14R,16S,17S,18R)-16-chloro-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl acetate
Other name (1)：
  • 3β-Acetoxy-12α-chloro-13-hydroxyoleanane-28-oic acid lactone
Thsaurus map：
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