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(Q104401835)
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English
Fruticolone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[8-[2-(Furan-3-yl)ethyl]-1-hydroxy-7,8-dimethyl-5-oxospiro[1,2,3,6,7,8a-hexahydronaphthalene-4,2'-oxirane]-4a-yl]methyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
390.20423868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₀O₆
0 references
canonical SMILES
O=C(OCC12C(=O)CC(C)C(C)(CCC3=COC=C3)C2C(O)CCC41OC4)C
0 references
isomeric SMILES
CC(=O)OC[C@@]12C(=O)C[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1[C@@H](O)CC[C@]21CO1
0 references
found in taxon
Teucrium fruticans
3 references
stated in
Neo- and seco-neo-clerodane diterpenoids from Teucrium gracile and T. Fruticans
stated in
Two new diterpenoids from Teucrium fruticans
stated in
Neo-clerodane diterpenes from Teucrium fruticans
Identifiers
InChI
InChI=1S/C22H30O6/c1-14-10-18(25)22(13-27-15(2)23)19(17(24)5-8-21(22)12-28-21)20(14,3)7-4-16-6-9-26-11-16/h6,9,11,14,17,19,24H,4-5,7-8,10,12-13H2,1-3H3/t14-,17+,19-,20+,21+,22-/m1/s1
0 references
InChIKey
WANDVJULGULKJH-DSEUMGGYSA-N
0 references
PubChem CID
15450013
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WANDVJULGULKJH-DSEUMGGYSA-N
UniChem compound ID
64689610
1 reference
stated in
UniChem
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