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(Q104400770)
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English
(1R,4aS,10aR)-7-(2-methoxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-(2-Methoxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
330.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Abiesadine N
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₀O₃
0 references
canonical SMILES
O=C(O)C1(C)CCCC2(C3=CC=C(C=C3CCC12)C(OC)(C)C)C
0 references
isomeric SMILES
COC(C)(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O
0 references
found in taxon
Abies chensiensis
1 reference
stated in
Terpenoid Constituents ofAbies chensiensiswith Potential Anti-inflammatory Activity
Pinus yunnanensis
2 references
stated in
A novel phenolic compound from Pinus yunnanensis
stated in
Three New Terpenoids fromPinus yunnanensis
Identifiers
InChI
InChI=1S/C21H30O3/c1-19(2,24-5)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)23/h8-9,13,17H,6-7,10-12H2,1-5H3,(H,22,23)/t17-,20-,21-/m1/s1
0 references
InChIKey
QBAITYMIZWFOLG-DUXKGJEZSA-N
0 references
PubChem CID
46230129
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
548234
1 reference
stated in
UniChem
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