Chem
J-GLOBAL ID:201107019411635814
Nikkaji number:J2.936.103G
(13S)-15-Oxo-9α-hydroxykaurane-18-oic acid
ent-9α-ヒドロキシ-15-オキソ-16β(H)-カウラン-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 H30 O4
Molecular formula furigana:
C20-H30-O4
Molecular weight:
334.456
InChI:
InChI=1S/C20H30O4/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/h12-14,24H,4-11H2,1-3H3,(H,22,23)/t12-,13+,14-,17-,18-,19+,20+/m1/s1
InChI key:
KMVZHTJBTBTQAN-XDRXDKEASA-N
SMILES:
C[C@@H]1[C@@H]2C[C@@]3(CC[C@@H]4[C@@](C)(CCC[C@@]4(C)[C@@]3(O)CC2)C(=O)O)C1=O
Systematic name (3):
(13S)-15-オキソ-9α-ヒドロキシカウラン-18-酸
(1R,4S,5R,9R,10S,13S,14R)-10-ヒドロキシ-5,9,14-トリメチル-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,10S,13S,14R)-10-hydroxy-5,9,14-trimethyl-15-oxotetracyclo[11.2.1.01,10 .04,9 ]hexadecane-5-carboxylic acid
Other name (3):
(13S)-15-Oxo-9α-hydroxykaurane-18-oic acid
ent-9α-ヒドロキシ-15-オキソ-16β(H)-カウラン-19-酸
ent-9α-Hydroxy-15-oxo-16β(H)-kauran-19-oic acid
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