(Q104922368)

English

[(2R,3S,4R,5R,6S)-4,5-diacetyloxy-6-[[(1S,2S,4S,5S,6S,10R)-2-(hydroxymethyl)-10-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[4,5-Diacetyloxy-6-[[2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] 3-(4-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

752.252764568 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] (Z)-3-(4-methoxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Scrovalentinoside

1 reference

based on heuristic

inferred from InChI

[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[[(1S,2S,4S,5S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] (Z)-3-(4-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₄O₁₈

0 references

canonical SMILES

O=C(OC1C(OC(OC2C3OC3(CO)C4C(OC=CC24)OC5OC(CO)C(O)C(O)C5O)C(OC(=O)C)C1OC(=O)C)C)C=CC6=CC=C(OC)C=C6

0 references

isomeric SMILES

COc1ccc(/C=C/C(=O)O[C@H]2[C@@H](C)O[C@@H](O[C@H]3[C@H]4C=CO[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]4(CO)O[C@@H]34)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1

0 references

Scrophularia nodosa

1 reference

Acylated iridoid and phenylethanoid glycosides from the aerial parts of Scrophularia nodosa

Identifiers

InChI=1S/C35H44O18/c1-15-27(50-22(40)10-7-18-5-8-19(44-4)9-6-18)29(47-16(2)38)30(48-17(3)39)34(46-15)51-28-20-11-12-45-32(23(20)35(14-37)31(28)53-35)52-33-26(43)25(42)24(41)21(13-36)49-33/h5-12,15,20-21,23-34,36-37,41-43H,13-14H2,1-4H3/b10-7+/t15-,20+,21-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35-/m1/s1

0 references

BARAUATXLYPTGX-HGHNEGCBSA-N

0 references

2 references

15 September 2022

matched by identifier from

BARAUATXLYPTGX-HGHNEGCBSA-N

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