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(Q105169567)
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English
Netidiol B 18-monoacetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(8-Hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthren-1-yl)methyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
348.266445012
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₆O₃
0 references
canonical SMILES
O=C(OCC1(C)CCCC2(C)C3C(=CCC12)C(O)C(CC3)C(C)C)C
0 references
isomeric SMILES
CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H](C(C)C)[C@H](O)C3=CC[C@H]21
0 references
found in taxon
Nepeta teydea
2 references
stated in
Abietane diterpenes from Nepeta teydea
stated in
Abietane diterpenes from Nepeta teydea
Identifiers
InChI
InChI=1S/C22H36O3/c1-14(2)16-7-9-18-17(20(16)24)8-10-19-21(4,13-25-15(3)23)11-6-12-22(18,19)5/h8,14,16,18-20,24H,6-7,9-13H2,1-5H3/t16-,18-,19-,20-,21-,22+/m0/s1
0 references
InChIKey
MPJIHLVHOCEXNG-HPMPOATDSA-N
0 references
PubChem CID
101939200
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
MPJIHLVHOCEXNG-HPMPOATDSA-N
UniChem compound ID
97687475
1 reference
stated in
UniChem
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