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(Q104993452)
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English
(8R,9S,10beta,13E)-19-Acetoxycleroda-3,13-diene-15-oic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-[5-(Acetyloxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
362.245709568
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(8alpha,13E)-19-Acetoxy-5,9-dimethyl-17,18-dinorlabda-3,13-dien-15-oic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₄O₄
0 references
canonical SMILES
O=C(O)C=C(C)CCC1(C)C(C)CCC2(C(=CCCC21)COC(=O)C)C
0 references
isomeric SMILES
CC(=O)OCC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC/C(C)=C/C(=O)O
0 references
found in taxon
Haplopappus deserticola
1 reference
stated in
Clerodane diterpenes from Haplopappus deserticola
Identifiers
InChI
InChI=1S/C22H34O4/c1-15(13-20(24)25)9-11-21(4)16(2)10-12-22(5)18(14-26-17(3)23)7-6-8-19(21)22/h7,13,16,19H,6,8-12,14H2,1-5H3,(H,24,25)/b15-13+/t16-,19-,21+,22-/m1/s1
0 references
InChIKey
FCZDHYMKYYBHKU-RLZUNUKTSA-N
0 references
PubChem CID
51036684
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
FCZDHYMKYYBHKU-RLZUNUKTSA-N
UniChem compound ID
33011207
1 reference
stated in
UniChem
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