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(Q105272532)
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English
(5alpha)-15,16-Epoxycleroda-1,3,13(16),14-tetrene-19-oic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-[2-(Furan-3-yl)ethyl]-5,6,8a-trimethyl-4a,6,7,8-tetrahydronaphthalene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
314.188194692
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
10-epi-Nidoresedic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4aR,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-4a,6,7,8-tetrahydronaphthalene-1-carboxylic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆O₃
0 references
canonical SMILES
O=C(O)C1=CC=CC2C1(C)CCC(C)C2(C)CCC3=COC=C3
0 references
isomeric SMILES
C[C@H]1CC[C@@]2(C)C(C(=O)O)=CC=C[C@H]2[C@]1(C)CCc1ccoc1
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/C20H26O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h4-6,9,12-14,17H,7-8,10-11H2,1-3H3,(H,21,22)/t14-,17-,19+,20-/m0/s1
0 references
InChIKey
UGSBWJKLOVIZMZ-OBZTVWKBSA-N
0 references
PubChem CID
100982490
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UGSBWJKLOVIZMZ-OBZTVWKBSA-N
UniChem compound ID
96554781
1 reference
stated in
UniChem
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