(Q104967227)

English

methyl (1R,4aR,7R,7aR)-7-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 7-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

536.189376464 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1R,4aR,7R,7aR)-7-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,4aS,7S,7aS)-7-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

1 reference

1 reference

methyl (1S,4aS,7S,7aS)-7-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₂O₁₂

0 references

canonical SMILES

O=C(OCC1CCC2C(=COC(OC3OC(CO)C(O)C(O)C3O)C21)C(=O)OC)C=CC4=CC=C(O)C=C4

0 references

isomeric SMILES

COC(=O)C1=CO[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@H](COC(=O)/C=C\c3ccc(O)cc3)CC[C@@H]12

0 references

found in taxon

Viburnum luzonicum

1 reference

stated in

Iridoid glucosides and p-coumaroyl iridoids from Viburnum luzonicum and their cytotoxicity

Identifiers

InChI

InChI=1S/C26H32O12/c1-34-24(33)17-12-36-25(38-26-23(32)22(31)21(30)18(10-27)37-26)20-14(5-8-16(17)20)11-35-19(29)9-4-13-2-6-15(28)7-3-13/h2-4,6-7,9,12,14,16,18,20-23,25-28,30-32H,5,8,10-11H2,1H3/b9-4-/t14-,16-,18-,20-,21-,22+,23-,25+,26+/m0/s1

0 references

InChIKey

COQOXCPEJJIULA-HENKLDSMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

COQOXCPEJJIULA-HENKLDSMSA-N

(Q104967227)

methyl (1R,4aR,7R,7aR)-7-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

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)