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(Q104996777)
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English
Otostegin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
CID 162953875
1 reference
based on heuristic
inferred from SMILES
mass
376.224974124
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
CID 15548652
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₂O₅
0 references
canonical SMILES
O=C(OC1C(=O)C(C)C2(OC3(C=COC3)CC2)C4(C)CCCC(C)(C)C14)C
0 references
isomeric SMILES
CC(=O)O[C@@H]1C(=O)[C@H](C)[C@]2(CC[C@]3(C=COC3)O2)[C@@]2(C)CCCC(C)(C)[C@H]12
0 references
found in taxon
Otostegia fruticosa
1 reference
stated in
Labdane diterpenes from Otostegia fruticosa
Identifiers
InChI
InChI=1S/C22H32O5/c1-14-16(24)17(26-15(2)23)18-19(3,4)7-6-8-20(18,5)22(14)10-9-21(27-22)11-12-25-13-21/h11-12,14,17-18H,6-10,13H2,1-5H3/t14-,17+,18-,20-,21+,22+/m0/s1
0 references
InChIKey
FKTKIKZTYBWJGJ-FSHSUKQZSA-N
0 references
PubChem CID
101083715
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FKTKIKZTYBWJGJ-FSHSUKQZSA-N
UniChem compound ID
97116570
1 reference
stated in
UniChem
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