(Q105204122)

English

(1aS)-1a,1balpha,2,5aalpha,6,6abeta-Hexahydro-2alpha-(beta-D-glucopyranosyloxy)-1abeta-hydroxymethyl-6alpha-[4-O-[(E)-1-oxo-3-(3,4-dihydroxyphenyl)-2-propenyl]-alpha-L-rhamnopyranosyloxy]oxireno[4,5]cyclopenta[1,2-c]pyran

chemical compound

In more languages

Statements

type of chemical entity

0 references

[4,5-Dihydroxy-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-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

670.210899756 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₈O₁₇

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canonical SMILES

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

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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](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1

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Verbascum thapsus

1 reference

Iridoid Glycosides from Verbascum thapsus L.

Identifiers

InChI=1S/C30H38O17/c1-11-24(44-17(35)5-3-12-2-4-14(33)15(34)8-12)21(38)23(40)28(42-11)45-25-13-6-7-41-27(18(13)30(10-32)26(25)47-30)46-29-22(39)20(37)19(36)16(9-31)43-29/h2-8,11,13,16,18-29,31-34,36-40H,9-10H2,1H3/b5-3+/t11-,13+,16+,18+,19+,20-,21-,22+,23+,24-,25-,26-,27-,28-,29-,30+/m0/s1

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OZUNVJPWYLCBHV-ZBAGAMTJSA-N

0 references

1 reference

15 September 2022

UniChem compound ID

1 reference

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