(Q104968557)

English

[(1R,3R,4R,5R,6R,7S,11R)-3,4,6-trihydroxy-4,5,11-trimethyl-9-oxo-8-oxatricyclo[5.3.2.01,6]dodecan-5-yl]methyl benzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3,4,6-Trihydroxy-4,5,11-trimethyl-9-oxo-8-oxatricyclo[5.3.2.01,6]dodecan-5-yl)methyl benzoate

1 reference

based on heuristic

inferred from SMILES

mass

404.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₇

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canonical SMILES

O=C(OCC1(C)C(O)(C)C(O)CC23CC(=O)OC(CC2C)C13O)C=4C=CC=CC4

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isomeric SMILES

C[C@@H]1C[C@@H]2OC(=O)C[C@]13C[C@@H](O)[C@](C)(O)[C@@](C)(COC(=O)c1ccccc1)[C@@]23O

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found in taxon

Illicium dunnianum

1 reference

stated in

New pseudoanisatin-like sesquiterpene lactones from the bark of Illicium dunnianum

Illicium floridanum

2 references

stated in

Revision of the Structure of Dunnianin and Related Sesquiterpene Lactones fromIlliciumSpecies

stated in

New Sesquiterpene Lactones from Illicium floridanum

Identifiers

InChI

InChI=1S/C22H28O7/c1-13-9-16-22(27)19(2,12-28-18(25)14-7-5-4-6-8-14)20(3,26)15(23)10-21(13,22)11-17(24)29-16/h4-8,13,15-16,23,26-27H,9-12H2,1-3H3/t13-,15-,16+,19-,20+,21-,22+/m1/s1

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InChIKey

CRIUJHLQSLFERL-HIEWHMGZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CRIUJHLQSLFERL-HIEWHMGZSA-N

1 reference

(Q104968557)

[(1R,3R,4R,5R,6R,7S,11R)-3,4,6-trihydroxy-4,5,11-trimethyl-9-oxo-8-oxatricyclo[5.3.2.01,6]dodecan-5-yl]methyl benzoate

Statements

Identifiers

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