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(Q105253092)
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English
[(5aR,7S,9aS,9bR)-6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e]isobenzofuran-7-yl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-7-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
292.167459248
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₄O₄
0 references
canonical SMILES
O=C1OCC2C1=CCC3C(C)(C)C(OC(=O)C)CCC23C
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isomeric SMILES
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3COC(=O)C3=CC[C@H]2C1(C)C
0 references
found in taxon
Warburgia stuhlmannii
1 reference
stated in
A comparative study of the stem-bark drimane sesquiterpenes and leaf volatile oils of Warburgia ugandensis and W. Stuhlmannii
Warburgia ugandensis
2 references
stated in
A comparative study of the stem-bark drimane sesquiterpenes and leaf volatile oils of Warburgia ugandensis and W. Stuhlmannii
stated in
Sesquiterpenes from Warburgia ugandensis and their antimycobacterial activity
Identifiers
InChI
InChI=1S/C17H24O4/c1-10(18)21-14-7-8-17(4)12-9-20-15(19)11(12)5-6-13(17)16(14,2)3/h5,12-14H,6-9H2,1-4H3/t12-,13-,14-,17+/m0/s1
0 references
InChIKey
SHNYGCOMKCOSMW-AYMQEEERSA-N
0 references
PubChem CID
15957671
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SHNYGCOMKCOSMW-AYMQEEERSA-N
UniChem compound ID
50036882
1 reference
stated in
UniChem
NMRShiftDB structure ID
20230191
1 reference
matched by identifier from
InChIKey
InChIKey
SHNYGCOMKCOSMW-AYMQEEERSA-N
KNApSAcK ID
C00060177
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SHNYGCOMKCOSMW-AYMQEEERSA-N
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