(Q27108125)

English

Purpureaside C

chemical compound

In more languages

Statements

type of chemical entity

0 references

alkyl caffeate ester

0 references

786.258±0 dalton

1 reference

language of work or name

Purpureaside C (English)

5 October 2016

stereoisomer of

[(2R,3R,4R,5R,6S)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2S,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₆O₂₀

1 reference

language of work or name

Purpureaside C (English)

5 October 2016

canonical SMILES

CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O

1 reference

language of work or name

Purpureaside C (English)

5 October 2016

isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O

1 reference

language of work or name

Purpureaside C (English)

5 October 2016

Digitalis purpurea

1 reference

Phenolic glycoside composition of leaves and callus cultures of Digitalis purpurea

Rehmannia glutinosa

3 references

Hydroxycinnamic acid esters of phenethylalcohol glycosides from Rehmannia glutinosa var. Purpurea

Six iridoid glycosides from Rehmannia glutinosa

Phenolic glycosides from diseased roots of Rehmannia glutinosa var. purpurea

Cistanche salsa

1 reference

New Glycosides fromCistanche salsa

Identifiers

InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25-,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1

1 reference

language of work or name

Purpureaside C (English)

5 October 2016

FSBUXLDOLNLABB-HSCIEKESSA-N

2 references

language of work or name

Purpureaside C (English)

5 October 2016

ChEBI release 2020-09-01

CAS Registry Number

1 reference

language of work or name

Purpureaside C (English)

5 October 2016

1 reference

language of work or name

2-(3,4-Dihydroxyphenyl)ethyl 6-deoxy-alpha-L-mannopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->6)]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside (English)

5 October 2016

2 references

language of work or name

Purpureaside C (English)

5 October 2016

matched by identifier from

FSBUXLDOLNLABB-HSCIEKESSA-N

mapping relation type

2 references

language of work or name

Purpureaside C (English)

5 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25-,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1

UniChem compound ID

1 reference

DSSTox substance ID

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

FSBUXLDOLNLABB-HSCIEKESSA-N

DSSTOX compound identifier

0 references

1 reference

language of work or name

Purpureaside C (English)

5 October 2016

Probes And Drugs ID

0 references

1 reference

language of work or name

Purpureaside C (English)

5 October 2016

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Wikiquote(0 entries)

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Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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