(Q105160017)

English

[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[4-hydroxy-2-[[(1R)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl]oxymethyl]phenoxy]-6-(hydroxymethyl)oxan-4-yl] benzoate

chemical compound

In more languages

default for all languages

No label defined

No description defined

edit

Statements

instance of

type of chemical entity

0 references

1 reference

[3,5-Dihydroxy-2-[4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl)oxymethyl]phenoxy]-6-(hydroxymethyl)oxan-4-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

544.158076336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₈O₁₂

0 references

canonical SMILES

O=C(OC1C(O)C(OC2=CC=C(O)C=C2COC(=O)C3(O)C=CCCC3=O)OC(CO)C1O)C=4C=CC=CC4

0 references

isomeric SMILES

O=C(O[C@@H]1[C@@H](O)[C@H](Oc2ccc(O)cc2COC(=O)[C@@]2(O)C=CCCC2=O)O[C@H](CO)[C@H]1O)c1ccccc1

0 references

found in taxon

Itoa orientalis

3 references

stated in

Itosides J-N from Itoa orientalis and structure - anti-COX-2 activity relationship of phenolic glycosides

stated in

Six insecticidal isoryanodane diterpenoids from the bark and twigs of Itoa orientalis

stated in

Itosides A – I, New Phenolic Glycosides fromItoa orientalis

Identifiers

InChI

InChI=1S/C27H28O12/c28-13-19-21(31)23(39-24(33)15-6-2-1-3-7-15)22(32)25(38-19)37-18-10-9-17(29)12-16(18)14-36-26(34)27(35)11-5-4-8-20(27)30/h1-3,5-7,9-12,19,21-23,25,28-29,31-32,35H,4,8,13-14H2/t19-,21-,22-,23+,25-,27-/m1/s1

0 references

InChIKey

LZMZVGLTYMYFFB-XEQWYTIESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105160017)

[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[4-hydroxy-2-[[(1R)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl]oxymethyl]phenoxy]-6-(hydroxymethyl)oxan-4-yl] benzoate

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)