(Q105246604)

English

[(1S,8S)-2,7,13-triacetyloxy-10-hydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] 3-phenylprop-2-enoate

group of stereoisomers with the chemical formula C₃₅H₄₂O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

622.277797544 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₂O₁₀

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canonical SMILES

O=C(OC1C2=CC(OC(=O)C)C3CC(OC(=O)C)C(=C(C(O)C(=O)C(C)(C2)C(OC(=O)C)C1)C3(C)C)C)C=CC=4C=CC=CC4

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isomeric SMILES

CC(=O)OC1C[C@@H]2C(OC(C)=O)C=C3C[C@](C)(C(=O)C(O)C(=C1C)C2(C)C)C(OC(C)=O)CC3OC(=O)C=Cc1ccccc1

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found in taxon

Taxus baccata

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stated in

A yew in Israel, new taxane derivatives

Identifiers

InChI

InChI=1S/C35H42O10/c1-19-26(42-20(2)36)16-25-28(43-21(3)37)15-24-18-35(7,33(41)32(40)31(19)34(25,5)6)29(44-22(4)38)17-27(24)45-30(39)14-13-23-11-9-8-10-12-23/h8-15,25-29,32,40H,16-18H2,1-7H3/t25-,26?,27?,28?,29?,32?,35+/m1/s1

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InChIKey

RWMXWLFXARITCC-OODUXDISSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105246604)

[(1S,8S)-2,7,13-triacetyloxy-10-hydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] 3-phenylprop-2-enoate

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Identifiers

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