Chem
J-GLOBAL ID：200907098327769529   Nikkaji number：J348.341J

3β-Hydroxy-28-(4-hydroxyphenoxy)urs-12-en-27-oic acid

3β-ヒドロキシ-28-(4-ヒドロキシフェノキシ)ウルサ-12-エン-27-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： C36H52O5
Molecular formula furigana： C36-H52-O5
Molecular weight： 564.807
InChI： InChI=1S/C36H52O5/c1-22-13-18-35(21-41-25-9-7-24(37)8-10-25)19-20-36(31(39)40)26(30(35)23(22)2)11-12-28-33(5)16-15-29(38)32(3,4)27(33)14-17-34(28,36)6/h7-11,22-23,27-30,37-38H,12-21H2,1-6H3,(H,39,40)/t22-,23+,27+,28-,29+,30+,33+,34-,35-,36-/m1/s1
InChI key： OOYJVIFWMOTZBG-WPRVLMCASA-N
SMILES： C[C@@H]1CC[C@]2(COc3ccc(O)cc3)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
Systematic name  (3)：
  • 3β-ヒドロキシ-28-(4-ヒドロキシフェノキシ)ウルサ-12-エン-27-酸
  • (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-ヒドロキシ-4a-[(4-ヒドロキシフェノキシ)メチル]-1,2,6b,9,9,12a-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-6a-カルボン酸
  • (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-4a-[(4-hydroxyphenoxy)methyl]-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-6a-carboxylic acid
Other name (1)：
  • 3β-Hydroxy-28-(4-hydroxyphenoxy)urs-12-en-27-oic acid
Thsaurus map：
Thesaurus Map

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