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(Q103815826)
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English
methyl (3S)-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Labd-7-en-15-oic acid, methyl ester
1 reference
based on heuristic
inferred from SMILES
mass
320.271530392
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₆O₂
0 references
canonical SMILES
O=C(OC)CC(C)CCC1C(=CCC2C(C)(C)CCCC12C)C
0 references
isomeric SMILES
COC(=O)C[C@@H](C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C
0 references
found in taxon
Ageratina jocotepecana
1 reference
stated in
Absolute configuration of (13R)- and (13S)-labdane diterpenes coexisting in Ageratina jocotepecana
Cistus symphytifolius
1 reference
stated in
Labdane diterpenes from Cistus symphytifolius
Identifiers
InChI
InChI=1S/C21H36O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h9,15,17-18H,7-8,10-14H2,1-6H3/t15-,17-,18-,21+/m0/s1
0 references
InChIKey
LWPPDVAQDDYKML-QUJKESNLSA-N
0 references
PubChem CID
14264209
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LWPPDVAQDDYKML-QUJKESNLSA-N
UniChem compound ID
62978931
1 reference
stated in
UniChem
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