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(Q104916735)
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English
CID 12444991
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Kaur-16-en-18-oic acid, 15-(acetyloxy)-, (4alpha,15beta)-
1 reference
based on heuristic
inferred from SMILES
15-Acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
360.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,4S,5R,9S,10S,13R,15S)-15-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,4R,5R,9S,10S,13R,15S)-15-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₂O₄
0 references
canonical SMILES
O=C(OC1C(=C)C2CCC3C4(C)CCCC(C(=O)O)(C)C4CCC13C2)C
0 references
isomeric SMILES
C=C1[C@@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1OC(C)=O
0 references
found in taxon
Xylopia aethiopica
2 references
stated in
Chemistry of the constituents of Xylopia aethiopica. The structure of xylopic acid, a new diterpene acid
stated in
Termite antifeedant activity in Xylopia aethiopica
Xylopia aromatica
1 reference
stated in
HPLC quantitation of kaurane diterpenes in Xylopia species.
Xylopia brasiliensis
1 reference
stated in
HPLC quantitation of kaurane diterpenes in Xylopia species.
Xylopia frutescens
2 references
stated in
HPLC quantitation of kaurane diterpenes in Xylopia species.
stated in
Frutoic acid, a dimeric kaurane diterpene from Xylopia frutescens
Identifiers
InChI
InChI=1S/C22H32O4/c1-13-15-6-7-17-20(3)9-5-10-21(4,19(24)25)16(20)8-11-22(17,12-15)18(13)26-14(2)23/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16+,17+,18-,20-,21-,22-/m1/s1
0 references
InChIKey
AQBQBBLJTDSVLC-XNAIKIDQSA-N
0 references
PubChem CID
12444991
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
AQBQBBLJTDSVLC-XNAIKIDQSA-N
UniChem compound ID
96553616
1 reference
stated in
UniChem
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