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(Q105189276)
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English
2-[(2'R,4aR,5S,8R,8aS)-5-hydroxy-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(5-hydroxy-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl)acetic acid
1 reference
based on heuristic
inferred from SMILES
mass
336.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
6beta-Hydroxygrindelic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
6alpha-Hydroxygrindelic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₄
0 references
canonical SMILES
O=C(O)CC1(OC2(C(=CC(O)C3C(C)(C)CCCC32C)C)CC1)C
0 references
isomeric SMILES
CC1=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2
0 references
found in taxon
Grindelia hirsutula
1 reference
stated in
Grindelane diterpenoid acids from Grindelia humilis: Feeding deterrency of diterpene acids towards aphids
Identifiers
InChI
InChI=1S/C20H32O4/c1-13-11-14(21)16-17(2,3)7-6-8-19(16,5)20(13)10-9-18(4,24-20)12-15(22)23/h11,14,16,21H,6-10,12H2,1-5H3,(H,22,23)/t14-,16+,18+,19-,20+/m0/s1
0 references
InChIKey
OCBYZNFGCPOXBL-XTDQBWQRSA-N
0 references
PubChem CID
163186742
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OCBYZNFGCPOXBL-XTDQBWQRSA-N
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