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(Q105352616)
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English
(2,7,9,10,13-Pentaacetyloxy-11-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-12-enyl) 3-phenylprop-2-enoate
group of stereoisomers with the chemical formula C₃₉H₄₈O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
taxoids
1 reference
inferred from
taxoids
mass
724.3094915960003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₉H₄₈O₁₃
0 references
canonical SMILES
O=C(OC1C(=C)C2C(OC(=O)C)C3CC(OC(=O)C)=C(C)C(O)(C(OC(=O)C)C(OC(=O)C)C2(C)C(OC(=O)C)C1)C3(C)C)C=CC=4C=CC=CC4
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Identifiers
InChI
InChI=1S/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3
0 references
InChIKey
YQWATTVJPRZZEE-UHFFFAOYSA-N
0 references
PubChem CID
78385557
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YQWATTVJPRZZEE-UHFFFAOYSA-N
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