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(Q105253756)
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English
methyl (3S)-5-[(1R,3R,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 5-(3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentanoate
1 reference
based on heuristic
inferred from SMILES
mass
336.266445012
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (3R)-5-[(1R,3R,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₆O₃
0 references
canonical SMILES
O=C(OC)CC(C)CCC1C(=C)C(O)CC2C(C)(C)CCCC12C
0 references
isomeric SMILES
C=C1[C@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)OC
0 references
found in taxon
Cistus symphytifolius
1 reference
stated in
Labdane diterpenes from Cistus symphytifolius
Identifiers
InChI
InChI=1S/C21H36O3/c1-14(12-19(23)24-6)8-9-16-15(2)17(22)13-18-20(3,4)10-7-11-21(16,18)5/h14,16-18,22H,2,7-13H2,1,3-6H3/t14-,16-,17+,18-,21+/m0/s1
0 references
InChIKey
SIICCOSLUNHIQW-HFEWUVCRSA-N
0 references
PubChem CID
163022787
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SIICCOSLUNHIQW-HFEWUVCRSA-N
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