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(Q115947086)
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English
(9-Acetyloxy-2,10-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-(dimethylamino)-3-phenylpropanoate
group of stereoisomers with the chemical formula C₃₃H₄₅NO₇
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
567.31960278
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₃H₄₅NO₇
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canonical SMILES
O=C(OC1C(O)C2=C(C(=O)CC(C(O)C3C(=C)C(OC(=O)CC(C=4C=CC=CC4)N(C)C)CCC13C)C2(C)C)C)C
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found in taxon
Taxus baccata
1 reference
stated in
A yew in Israel, new taxane derivatives
Identifiers
InChI
InChI=1S/C33H45NO7/c1-18-24(36)16-22-29(38)28-19(2)25(41-26(37)17-23(34(7)8)21-12-10-9-11-13-21)14-15-33(28,6)31(40-20(3)35)30(39)27(18)32(22,4)5/h9-13,22-23,25,28-31,38-39H,2,14-17H2,1,3-8H3
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InChIKey
AKGNQELVIPFFIJ-UHFFFAOYSA-N
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PubChem CID
73802031
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
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