(Q105240033)

English

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

chemical compound

In more languages

Statements

type of chemical entity

0 references

[4,5-Dihydroxy-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-3-yl] 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

638.221070516 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₈O₁₅

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1OC2C3OC3(CO)C4C(OC=CC24)OC5OC(CO)C(O)C(O)C5O)C)C=CC=6C=CC=CC6

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@H]3[C@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)OC=C[C@@H]23)[C@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@H]1O

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Verbascum spinosum

1 reference

Verbaspinoside, a new iridoid glycoside from Verbascum spinosum

Identifiers

InChI=1S/C30H38O15/c1-13-19(34)22(37)25(42-17(33)8-7-14-5-3-2-4-6-14)29(40-13)43-24-15-9-10-39-27(18(15)30(12-32)26(24)45-30)44-28-23(38)21(36)20(35)16(11-31)41-28/h2-10,13,15-16,18-29,31-32,34-38H,11-12H2,1H3/b8-7+/t13-,15+,16-,18+,19-,20-,21+,22+,23-,24-,25+,26-,27-,28+,29-,30+/m0/s1

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RLGYLKXDNQBDCU-OGLLXYHISA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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