Chem
J-GLOBAL ID:200907088166087869
Nikkaji number:J511.487J
17-Hydroxykaur-15-en-18-oic acid
17-ヒドロキシカウラ-15-エン-18-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 O3
Molecular formula furigana:
C20-H30-O3
Molecular weight:
318.457
InChI:
InChI=1S/C20H30O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15+,16+,18-,19-,20+/m1/s1
InChI key:
XEQHVCXFKPCQNM-PMHNSBFUSA-N
SMILES:
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=C3)CO)C(=O)O
Systematic name (3):
17-ヒドロキシカウラ-15-エン-18-酸
(1S,4S,5R,9S,10S,13R)-14-(ヒドロキシメチル)-5,9-ジメチルテトラシクロ[11.2.1.01,10 .04,9 ]ヘキサデカ-14-エン-5-カルボン酸
(1S,4S,5R,9S,10S,13R)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10 .04,9 ]hexadec-14-ene-5-carboxylic acid
Other name (1):
17-Hydroxykaur-15-en-18-oic acid
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