Chem
J-GLOBAL ID:201107072849568778
Nikkaji number:J2.936.104E
ent-9α-Hydroxy-15-oxo-16-kauren-19-oic acid
ent-9α-ヒドロキシ-15-オキソ-16-カウレン-19-酸
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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:
C20 H28 O4
Molecular formula furigana:
C20-H28-O4
Molecular weight:
332.440
InChI:
InChI=1S/C20H28O4/c1-12-13-5-10-20(24)18(3)8-4-7-17(2,16(22)23)14(18)6-9-19(20,11-13)15(12)21/h13-14,24H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,17+,18+,19-,20+/m0/s1
InChI key:
AURKCYFYZBQUIZ-LJIVFDACSA-N
SMILES:
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@@]21O)C(=C)C3=O)C(=O)O
Systematic name (3):
(13S)-15-オキソ-9-ヒドロキシカウラ-16-エン-18-酸
(1R,4S,5R,9R,10R,13S)-10-ヒドロキシ-5,9-ジメチル-14-メチリデン-15-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,9R,10R,13S)-10-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10 .04,9 ]hexadecane-5-carboxylic acid
Other name (3):
(13S)-15-Oxo-9-hydroxykaura-16-ene-18-oic acid
ent-9α-ヒドロキシ-15-オキソ-16-カウレン-19-酸
ent-9α-Hydroxy-15-oxo-16-kauren-19-oic acid
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