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(Q105343158)
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English
(5alpha)-15-Oxo-15,16-epoxycleroda-1,3,13-triene-19-oic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-4a,6,7,8-tetrahydronaphthalene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
330.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆O₄
0 references
canonical SMILES
O=C1OCC(=C1)CCC2(C)C3C=CC=C(C(=O)O)C3(C)CCC2C
0 references
isomeric SMILES
C[C@H]1CC[C@@]2(C)C(C(=O)O)=CC=C[C@H]2[C@]1(C)CCC1=CC(=O)OC1
0 references
found in taxon
Scapania nemorea
1 reference
stated in
cis-Clerodandes from axenic cultures of the liverwort Scapania nemorea1Publication Nr. 133 in the series of “Arbeitskreis Chemie und Biologie der Moose”. For part 132, see Cullmann & Becker, in press.1
Identifiers
InChI
InChI=1S/C20H26O4/c1-13-7-9-20(3)15(18(22)23)5-4-6-16(20)19(13,2)10-8-14-11-17(21)24-12-14/h4-6,11,13,16H,7-10,12H2,1-3H3,(H,22,23)/t13-,16-,19+,20-/m0/s1
0 references
InChIKey
XVTYNOXQGXBEAH-NCJOTSGUSA-N
0 references
PubChem CID
15489002
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XVTYNOXQGXBEAH-NCJOTSGUSA-N
UniChem compound ID
96923410
1 reference
stated in
UniChem
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