(Q105341476)

English

[(2S,3S,4R,5S,6R)-3,5-diacetyloxy-2-[[(1R,2S,4S,5R,6S,10R)-2-(hydroxymethyl)-10-[(2R,3S,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]-6-methyloxan-4-yl] (E)-3-phenylprop-2-enoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

3,5-bis(acetyloxy)-2-{[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}-6-methyloxan-4-yl (2E)-3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

[3,5-Diacetyloxy-2-[[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]-6-methyloxan-4-yl] 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

722.242199884 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3R,4R,5S,6S)-3,5-diacetyloxy-2-[[(1S,2S,4S,5S,6S,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]-6-methyloxan-4-yl] (E)-3-phenylprop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Scropolioside D

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₂O₁₇

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C(OC(C)C1OC(=O)C)OC2C3OC3(CO)C4C(OC=CC24)OC5OC(CO)C(O)C(O)C5O)C=CC=6C=CC=CC6

0 references

isomeric SMILES

CC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H]3C=CO[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H]3[C@@]3(CO)O[C@@H]23)O[C@H](C)[C@H](OC(C)=O)[C@H]1OC(=O)/C=C/c1ccccc1

0 references

Scrophularia deserti

1 reference

Antimicrobial constituents of Scrophularia deserti

Identifiers

InChI=1S/C34H42O17/c1-15-26(45-16(2)37)28(48-21(39)10-9-18-7-5-4-6-8-18)29(46-17(3)38)33(44-15)49-27-19-11-12-43-31(22(19)34(14-36)30(27)51-34)50-32-25(42)24(41)23(40)20(13-35)47-32/h4-12,15,19-20,22-33,35-36,40-42H,13-14H2,1-3H3/b10-9+/t15-,19+,20-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34-/m1/s1

0 references

XTDOKCBBQODVJW-DOQPPTJCSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

XTDOKCBBQODVJW-DOQPPTJCSA-N

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