(Q105102610)

English

[(1S,2S,3R,4S,7R,9S,10S,14S)-4-acetyloxy-9,11,14-trihydroxy-10,13,16,16-tetramethyl-18-oxo-6,17-dioxapentacyclo[9.4.3.01,12.03,10.04,7]octadec-12-en-2-yl] benzoate

group of stereoisomers with the chemical formula C₂₉H₃₄O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

542.215197288 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₁₀

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canonical SMILES

O=C(OC1C2C3(OC(=O)C)COC3CC(O)C2(C)C4(O)C(=O)OC(C)(C)C51C4=C(C)C(O)C5)C=6C=CC=CC6

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isomeric SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]23C[C@H](O)C(C)=C2C1(O)C(=O)OC3(C)C

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found in taxon

Taxus sumatrana

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stated in

Novel Taxane Diterpenes from Taxus sumatrana with the First C-21 Taxane Ester

Taxus wallichiana

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stated in

Novel Taxane Diterpenes from Taxus sumatrana with the First C-21 Taxane Ester

Identifiers

InChI

InChI=1S/C29H34O10/c1-14-17(31)12-27-20(14)29(35,24(34)39-25(27,3)4)26(5)18(32)11-19-28(13-36-19,38-15(2)30)21(26)22(27)37-23(33)16-9-7-6-8-10-16/h6-10,17-19,21-22,31-32,35H,11-13H2,1-5H3/t17-,18-,19+,21-,22-,26+,27-,28-,29?/m0/s1

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InChIKey

CIHPBJOPSVVYIO-AVAOLIFYSA-N

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2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

CIHPBJOPSVVYIO-AVAOLIFYSA-N

1 reference

(Q105102610)

[(1S,2S,3R,4S,7R,9S,10S,14S)-4-acetyloxy-9,11,14-trihydroxy-10,13,16,16-tetramethyl-18-oxo-6,17-dioxapentacyclo[9.4.3.01,12.03,10.04,7]octadec-12-en-2-yl] benzoate

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