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(Q82939301)
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English
3,7-Dihydroxykaur-16-en-19-yl acetate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
kaurane diterpenoid
1 reference
inferred from
kaurane diterpenoid
mass
362.24570956799994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₂H₃₄O₄
0 references
canonical SMILES
O=C(OCC1(C)C(O)CCC2(C)C3CCC4C(=C)CC3(C4)C(O)CC12)C
0 references
isomeric SMILES
C=C1C[C@]23C[C@@H]1CC[C@H]2[C@]1(C)CC[C@@H](O)[C@](C)(COC(C)=O)C1C[C@@H]3O
0 references
found in taxon
Sideritis athoa
1 reference
stated in
On the Ent -Kaurene Diterpenes from Sideritis Athoa
Identifiers
InChI
InChI=1S/C22H34O4/c1-13-10-22-11-15(13)5-6-16(22)20(3)8-7-18(24)21(4,12-26-14(2)23)17(20)9-19(22)25/h15-19,24-25H,1,5-12H2,2-4H3/t15-,16-,17?,18+,19-,20-,21+,22-/m0/s1
0 references
InChIKey
FOSUPIBQARPELG-FOYJWTFCSA-N
0 references
CAS Registry Number
37720-82-4
0 references
PubChem CID
497896
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
58754600
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70958761
0 references
DSSTOX compound identifier
DTXCID701386656
0 references
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