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(Q105177644)
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English
[4-Acetyloxy-5-(acetyloxymethyl)-3-hydroxyoxolan-2-yl] 5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
group of stereoisomers with the chemical formula C₂₉H₄₂O₈
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Statements
instance of
group of stereoisomers
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subclass of
kaurane diterpenoid
1 reference
inferred from
kaurane diterpenoid
mass
518.2879683039998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₄₂O₈
0 references
canonical SMILES
O=C(OCC1OC(OC(=O)C2(C)CCCC3(C)C2CCC45CC(=C)C(CCC43)C5)C(O)C1OC(=O)C)C
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Identifiers
InChI
InChI=1S/C29H42O8/c1-16-13-29-12-9-21-27(4,22(29)8-7-19(16)14-29)10-6-11-28(21,5)26(33)37-25-23(32)24(35-18(3)31)20(36-25)15-34-17(2)30/h19-25,32H,1,6-15H2,2-5H3
0 references
InChIKey
NDNXVUYCJZMRRS-UHFFFAOYSA-N
0 references
PubChem CID
73224152
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NDNXVUYCJZMRRS-UHFFFAOYSA-N
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