Chem
J-GLOBAL ID：200907002169348998   Nikkaji number：J2.085.208I

12-Hydroxyoleanolic acid

12-ヒドロキシオレアノール酸
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： C30H48O4
Molecular formula furigana： C30-H48-O4
Molecular weight： 472.710
InChI： InChI=1S/C30H48O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-18-25(3,4)21(31)9-10-26(18,5)19(27)16-22(32)30(28,20(29)17-24)34-23(29)33/h18-22,31-32H,8-17H2,1-7H3/t18-,19+,20+,21-,22?,26-,27+,28-,29-,30+/m0/s1
InChI key： CXELEGXSGVFEND-KTWNUHPRSA-N
SMILES： CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)C(O)C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@@]41C
Systematic name  (3)：
  • 3β,12,13-トリヒドロキシ-5α-オレアナン-28-酸28,13-ラクトン
  • (1S,4S,5R,8R,10S,13R,14R,17S,18R)-10,16-ジヒドロキシ-4,5,9,9,13,20,20-ヘプタメチル-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-23-オン
  • (1S,4S,5R,8R,10S,13R,14R,17S,18R)-10,16-dihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one
Other name (5)：
  • 3β,12,13-Trihydroxy-5α-oleanane-28-oic acid 28,13-lactone
  • 12-Hydroxyoleanolic acid
  • 12-ヒドロキシオレアノール酸
  • 12-ヒドロキシオレアノールラクトン
  • 12-Hydroxyoleanolic lactone
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