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(Q105036011)
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English
13-epicyllenin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
CID 74156862
1 reference
based on heuristic
inferred from SMILES
mass
350.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
15-epi-Cyllenin A
1 reference
based on heuristic
inferred from InChI
Cyllenin A
1 reference
based on heuristic
inferred from InChI
Cyllenine A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₅
0 references
canonical SMILES
O=C1OC2CC(C)C3(OC4(COC(O)C4)CC3)C5(C)CCCC1(C)C25
0 references
isomeric SMILES
C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(CO[C@H](O)C1)O2
0 references
found in taxon
Marrubium cylleneum
1 reference
stated in
Labdane diterpenes from Marrubium velutinum and Marrubium cylleneum
Marrubium globosum
1 reference
stated in
Antispasmodic effects and structure-activity relationships of labdane diterpenoids from Marrubium globosum ssp. libanoticum.
Identifiers
InChI
InChI=1S/C20H30O5/c1-12-9-13-15-17(2,16(22)24-13)5-4-6-18(15,3)20(12)8-7-19(25-20)10-14(21)23-11-19/h12-15,21H,4-11H2,1-3H3/t12-,13-,14+,15+,17+,18+,19+,20-/m1/s1
0 references
InChIKey
IACFKHAQKGTVTR-DEEWQJAJSA-N
0 references
PubChem CID
44254085
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
557510
1 reference
stated in
UniChem
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