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(Q105314699)
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English
Methyl 6alpha-hydroxy-3,13-clerodadien-15,16-olid-18-oate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 8-hydroxy-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
362.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₅
0 references
canonical SMILES
O=C1OCC(=C1)CCC2(C)C(C)CC(O)C3(C(=CCCC32)C(=O)OC)C
0 references
isomeric SMILES
COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]12C
0 references
found in taxon
Pulicaria wightiana
2 references
stated in
Clerodane diterpenoids from Pulicaria wightiana
stated in
A Benzofuranoid and Two Clerodane Diterpenoids fromPulicaria wightiana
Identifiers
InChI
InChI=1S/C21H30O5/c1-13-10-17(22)21(3)15(19(24)25-4)6-5-7-16(21)20(13,2)9-8-14-11-18(23)26-12-14/h6,11,13,16-17,22H,5,7-10,12H2,1-4H3/t13-,16-,17+,20+,21+/m1/s1
0 references
InChIKey
WXKAHDUEQYNCAI-JIVFAJJISA-N
0 references
PubChem CID
11552280
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WXKAHDUEQYNCAI-JIVFAJJISA-N
UniChem compound ID
32524671
1 reference
stated in
UniChem
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