Chem
J-GLOBAL ID：200907001207539763   Nikkaji number：J2.396.826F

(8β,13S)-12β-Hydroxy-13-(hydroxymethyl)-16-oxo-17-norkaurane-18-oic acid

(8β,13S)-12β-ヒドロキシ-13-(ヒドロキシメチル)-16-オキソ-17-ノルカウラン-18-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： C20H30O5
Molecular formula furigana： C20-H30-O5
Molecular weight： 350.455
InChI： InChI=1S/C20H30O5/c1-17-5-3-6-18(2,16(24)25)12(17)4-7-19-9-15(23)20(10-19,11-21)14(22)8-13(17)19/h12-14,21-22H,3-11H2,1-2H3,(H,24,25)/t12-,13-,14+,17+,18+,19-,20-/m0/s1
InChI key： ZBYFDMJURKQXPY-AAZDQIMRSA-N
SMILES： C[C@@]12CCC[C@](C)([C@H]1CC[C@]13CC(=O)[C@](CO)(C1)[C@H](O)C[C@@H]23)C(=O)O
Systematic name  (3)：
  • (8β,13S)-12β-ヒドロキシ-13-(ヒドロキシメチル)-16-オキソ-17-ノルカウラン-18-酸
  • (1R,4S,5R,9S,10R,12R,13S)-12-ヒドロキシ-13-(ヒドロキシメチル)-5,9-ジメチル-14-オキソテトラシクロ[11.2.1.01,10.04,9]ヘキサデカン-5-カルボン酸
  • (1R,4S,5R,9S,10R,12R,13S)-12-hydroxy-13-(hydroxymethyl)-5,9-dimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Other name (1)：
  • (8β,13S)-12β-Hydroxy-13-(hydroxymethyl)-16-oxo-17-norkaurane-18-oic acid
Thsaurus map：
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