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(Q105286880)
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English
11alpha-Acetoxyatisiren-20-oic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
11-Acetyloxy-5,9-dimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
360.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₂O₄
0 references
canonical SMILES
O=C(OC1C2C(=C)CC3(CC2)CCC4C(C(=O)O)(C)CCCC4(C)C13)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@@H]1CC3
0 references
found in taxon
Helianthus decapetalus
1 reference
stated in
Neue ent-atisiren- und ent-kaurensäure-derivate aus Helianthus-arten
Identifiers
InChI
InChI=1S/C22H32O4/c1-13-12-22-10-6-15(13)17(26-14(2)23)18(22)20(3)8-5-9-21(4,19(24)25)16(20)7-11-22/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16+,17-,18+,20-,21-,22-/m1/s1
0 references
InChIKey
VILPHYLLWVHAHK-XUHPIZGLSA-N
0 references
PubChem CID
101586705
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VILPHYLLWVHAHK-XUHPIZGLSA-N
UniChem compound ID
97406350
1 reference
stated in
UniChem
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