Chem
J-GLOBAL ID：200907094985346032   Nikkaji number：J90.202K

3β-Acetoxy-12α,13-dihydroxyoleanan-28-oic acid γ-lactone

3β-アセトキシ-12α,13-ジヒドロキシオレアナン-28-酸γ-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： C32H50O5
Molecular formula furigana： C32-H50-O5
Molecular weight： 514.746
InChI： InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3/t20-,21+,22+,23-,24-,28-,29+,30-,31-,32+/m0/s1
InChI key： SFSFDBPTPLSWRM-KXNUYETHSA-N
SMILES： CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@H](O)[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@@H]25)CC[C@@]34C)C1(C)C
Systematic name  (4)：
  • 3β-アセトキシ-12α,13-ジヒドロキシオレアナン-28-酸γ-ラクトン
  • 3β-アセトキシ-12α,13-ジヒドロキシオレアナン-28-酸28,13-ラクトン
  • (1S,4S,5R,8R,10S,13R,14R,16S,17S,18R)-16-ヒドロキシ-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-hydroxy-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 (2)：
  • 3β-Acetoxy-12α,13-dihydroxyoleanan-28-oic acid γ-lactone
  • 3β-Acetoxy-12α,13-dihydroxyoleanane-28-oic acid 28,13-lactone
CAS registry number： 62498-83-3
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