(Q82895488)

English

2,4-Dideoxy-1-C-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,12-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-4-methyl-5-propan-2-ylpentopyranose

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

622.408083436 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₈O₉

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based on heuristic

inferred from SMILES

canonical SMILES

COC1=CC=C(C)C(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(O)C(C)C(C(C)C)O2)OC1=O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC1=CC=C(C)[C@@H](C)[C@@H](O)[C@@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)C2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)17-22(5)30(37)23(6)21(4)15-16-29(42-11)34(39)43-33/h12-16,19,22-28,30-33,36-38,40H,17-18H2,1-11H3/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35?/m0/s1

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InChIKey

UFIVEZZPJOTNAU-HANUFPPQSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID001351038

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(Q82895488)

2,4-Dideoxy-1-C-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,12-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-4-methyl-5-propan-2-ylpentopyranose

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Identifiers

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