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(Q104936940)
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English
methyl (1R,4S,5R,9S,10R,12S)-5,9-dimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 5,9-dimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
316.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₂O₂
0 references
canonical SMILES
O=C(OC)C1(C)CCCC2(C)C1CCC34CC(=C)C(CC3)CC42
0 references
isomeric SMILES
C=C1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]1CC3
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found in taxon
Helichrysum chionosphaerum
1 reference
stated in
Weitere diterpene mit helifulvan-gerüst und andere inhaltsstoffe aus Helichrysum chionosphaerum
Identifiers
InChI
InChI=1S/C21H32O2/c1-14-13-21-10-6-15(14)12-17(21)19(2)8-5-9-20(3,18(22)23-4)16(19)7-11-21/h15-17H,1,5-13H2,2-4H3/t15-,16-,17-,19+,20+,21+/m0/s1
0 references
InChIKey
BJAYKFMSRRFYLE-FNKUJANRSA-N
0 references
PubChem CID
11313129
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BJAYKFMSRRFYLE-FNKUJANRSA-N
UniChem compound ID
33586480
1 reference
stated in
UniChem
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