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(Q104375917)
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Methyl cis-Communate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 1,4a-dimethyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
316.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1R,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
1 reference
based on heuristic
inferred from InChI
methyl (1S,4aR,5R,8aR)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₂O₂
0 references
canonical SMILES
O=C(OC)C1(C)CCCC2(C)C(C(=C)CCC12)CC=C(C=C)C
0 references
isomeric SMILES
C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]12C
0 references
found in taxon
Artemisia tridentata
1 reference
stated in
Terpenes in the essential oil of sagebrush (Artemisia tridentata)
Fritillaria thunbergii
1 reference
stated in
Studies on the constituents of the crude drug "Fritillariae bulbus." III. On the diterpenoid constituents of fresh bulbs of Fritillaria thunbergii Miq.
Juniperus communis
1 reference
stated in
Diterpene acids from Juniperus communis subsp. Hemisphaerica
Juniperus communis var. communis
1 reference
stated in
Diterpene acids from Juniperus communis subsp. Hemisphaerica
Pinus resinosa
1 reference
stated in
Resin acids of Pinus resinosa needles
Metasequoia glyptostroboides
1 reference
stated in
Strukturaufklärung einer neuen diterpensäure aus metasequoia glyptostroboides mit hilfe der 13C-NMR-spektroskopie
Wollemia nobilis
1 reference
stated in
Terpenoids and More Polar Compounds from the Male Cones of Wollemia nobilis
Identifiers
InChI
InChI=1S/C21H32O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+/t17-,18+,20+,21-/m0/s1
0 references
InChIKey
WYJKGKPQXWDIQP-BRUWWATDSA-N
0 references
PubChem CID
11141639
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WYJKGKPQXWDIQP-BRUWWATDSA-N
UniChem compound ID
33865755
1 reference
stated in
UniChem
UNII
P8PD6BRA3K
1 reference
matched by identifier from
InChIKey
InChIKey
WYJKGKPQXWDIQP-BRUWWATDSA-N
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