(Q105134775)

English

[(1aS)-6alpha-[[3-O-(4-Methoxy-trans-cinnamoyl)-6-deoxy-alpha-L-mannopyranosyl]oxy]-1a,1balpha,2,5aalpha,6,6abeta-hexahydro-1abeta-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2alpha-yl]beta-D-glucopyranoside

chemical compound

In more languages

Statements

type of chemical entity

0 references

[3,5-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-4-yl] 3-(4-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

668.2316352 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₀O₁₆

0 references

canonical SMILES

O=C(OC1C(O)C(OC(C)C1O)OC2C3OC3(CO)C4C(OC=CC24)OC5OC(CO)C(O)C(O)C5O)C=CC6=CC=C(OC)C=C6

0 references

isomeric SMILES

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

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Buddleja japonica

1 reference

Acylated Iridoid Glycosides from Buddleja japonica HEMSL.

Verbascum thapsus

1 reference

Iridoid Glycosides from Verbascum thapsus L.

Identifiers

InChI=1S/C31H40O16/c1-13-20(35)26(44-18(34)8-5-14-3-6-15(40-2)7-4-14)24(39)30(42-13)45-25-16-9-10-41-28(19(16)31(12-33)27(25)47-31)46-29-23(38)22(37)21(36)17(11-32)43-29/h3-10,13,16-17,19-30,32-33,35-39H,11-12H2,1-2H3/b8-5+/t13-,16+,17+,19+,20-,21+,22-,23+,24+,25-,26+,27-,28-,29-,30-,31+/m0/s1

0 references

JTHGUCGELADHDS-QVPDUFJHSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

JTHGUCGELADHDS-QVPDUFJHSA-N

UniChem compound ID

1 reference

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