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(Q104991447)
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English
(1R,4aR,4bR,6S,10aR)-6-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
318.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,4aS,4bS,6R,10aS)-6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₃
0 references
canonical SMILES
O=C(O)C1(C)CCCC2(C)C3C(C=C(C(O)C3)C(C)C)=CCC12
0 references
isomeric SMILES
CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@@H]1O
0 references
found in taxon
Pinus sylvestris
1 reference
stated in
Abietic and dehydroabietic acid derivatives from needle-free shoots of shoots ofPinus sylvestris
Pinus yunnanensis
1 reference
stated in
Abietane Diterpenoids and a Lignan from Pinus yunnanensis
Identifiers
InChI
InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m0/s1
0 references
InChIKey
DYNISIGUMYFVJW-OCBLOMHFSA-N
0 references
CAS Registry Number
3484-61-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
52325853
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DYNISIGUMYFVJW-OCBLOMHFSA-N
UniChem compound ID
53171326
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID401103269
1 reference
matched by identifier from
InChIKey
InChIKey
DYNISIGUMYFVJW-OCBLOMHFSA-N
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