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(Q105033407)
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English
11beta-Acetoxykaura-16-ene-19-oic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
11-(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
(1S,4S,5S,9R,10R,11R,13R)-11-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
(1S,4S,5R,9R,10R,11S,13S)-11-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
chemical formula
C₂₂H₃₂O₄
0 references
canonical SMILES
O=C(OC1CC2C(=C)CC3(CCC4C(C(=O)O)(C)CCCC4(C)C13)C2)C
0 references
isomeric SMILES
C=C1C[C@@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@@H](OC(C)=O)C[C@@H]1C3
0 references
found in taxon
Croton kongensis
2 references
stated in
SIRT1 inhibitory diterpenoids from the Vietnamese medicinal plant Croton tonkinensis.
stated in
Cytotoxic diterpenoids from Vietnamese medicinal plant Croton tonkinensis GAGNEP.
Helichrysum nudifolium var. pilosellum
1 reference
stated in
Phloroglucinol derivatives and other constituents from South African Helichrysum species
Identifiers
InChI
InChI=1S/C22H32O4/c1-13-11-22-9-6-17-20(3,7-5-8-21(17,4)19(24)25)18(22)16(26-14(2)23)10-15(13)12-22/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16+,17+,18+,20-,21+,22-/m1/s1
0 references
InChIKey
HTEVPTMQVRGNSS-LGOXWGFVSA-N
0 references
PubChem CID
11405733
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
34190058
1 reference
stated in
UniChem
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