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(Q105154543)
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3Beta-Hydroxycopalic Acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
320.235144884
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2E)-5-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
3-Hydroxycopalic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(Z)-5-[(1R,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(E)-5-[(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
1 reference
based on heuristic
inferred from InChI
5-[(1R,4aS,6S,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₃
0 references
canonical SMILES
O=C(O)C=C(C)CCC1C(=C)CCC2C(C)(C)C(O)CCC12C
0 references
isomeric SMILES
C=C1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)O
0 references
found in taxon
Copaifera
1 reference
stated in
Terpenes from Copaifera demonstrated in vitro antiparasitic and synergic activity.
Identifiers
InChI
InChI=1S/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16-,17+,20+/m1/s1
0 references
InChIKey
LNWOKEZJIRLIDO-FCFWMCEOSA-N
0 references
PubChem CID
70692610
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LNWOKEZJIRLIDO-FCFWMCEOSA-N
UniChem compound ID
27274101
1 reference
stated in
UniChem
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