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Siegesbeckic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
kaurane diterpenoid
0 references
mass
336.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₂O₄
0 references
canonical SMILES
O=C(O)C1(CO)CCCC2(C)C1CCC34CC(CO)C(CCC32)C4
0 references
isomeric SMILES
C[C@@]12CCC[C@@](CO)(C(=O)O)[C@H]1CC[C@]13C[C@@H](CO)[C@H](CC[C@H]12)C3
0 references
found in taxon
Sigesbeckia pubescens
1 reference
stated in
Diterpenoids from Siegesbeckia pubescens
Identifiers
InChI
InChI=1S/C20H32O4/c1-18-6-2-7-20(12-22,17(23)24)16(18)5-8-19-9-13(3-4-15(18)19)14(10-19)11-21/h13-16,21-22H,2-12H2,1H3,(H,23,24)/t13-,14+,15+,16+,18+,19+,20+/m1/s1
0 references
InChIKey
UUBNGVXGDKXQQJ-HNFSSWLOSA-N
0 references
PubChem CID
101625122
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UUBNGVXGDKXQQJ-HNFSSWLOSA-N
UniChem compound ID
97170904
1 reference
stated in
UniChem
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