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(Q105274629)
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English
crotonkinin C
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
kaurane diterpenoid
0 references
mass
374.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₀O₅
0 references
canonical SMILES
O=CC1=CC23CCC4C(C(=O)O)(C)CCCC4(C)C3C(OC(=O)C)CC1C2
0 references
isomeric SMILES
CC(=O)O[C@H]1C[C@@H]2C[C@]3(C=C2C=O)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@H]13
0 references
found in taxon
Croton kongensis
1 reference
stated in
Anti-inflammatory diterpenoids from Croton tonkinensis
Identifiers
InChI
InChI=1S/C22H30O5/c1-13(24)27-16-9-14-10-22(11-15(14)12-23)8-5-17-20(2,18(16)22)6-4-7-21(17,3)19(25)26/h11-12,14,16-18H,4-10H2,1-3H3,(H,25,26)/t14-,16+,17+,18+,20-,21+,22+/m1/s1
0 references
InChIKey
UKKLQQNAXRBSIP-JKYGVMPDSA-N
0 references
PubChem CID
71578722
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
33052775
1 reference
stated in
UniChem
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