(Q105290224)

English

(1aS)-2alpha-(beta-D-Glucopyranosyloxy)-6alpha-[2-O-acetyl-3-O-[(E)-3-(3-hydroxy-4-methoxyphenyl)propenoyl]-alpha-L-rhamnopyranosyloxy]-1a,1balpha,2,5aalpha,6,6abeta-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1abeta-methanol

chemical compound

In more languages

Statements

type of chemical entity

0 references

[3-Acetyloxy-5-hydroxy-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-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

726.237114504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₂O₁₈

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canonical SMILES

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

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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]2OC(C)=O)cc1O

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Scrophularia nodosa

1 reference

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

Identifiers

InChI=1S/C33H42O18/c1-13-22(39)27(48-20(38)7-5-15-4-6-18(43-3)17(37)10-15)28(46-14(2)36)32(45-13)49-26-16-8-9-44-30(21(16)33(12-35)29(26)51-33)50-31-25(42)24(41)23(40)19(11-34)47-31/h4-10,13,16,19,21-32,34-35,37,39-42H,11-12H2,1-3H3/b7-5+/t13-,16+,19+,21+,22-,23+,24-,25+,26-,27+,28+,29-,30-,31-,32-,33+/m0/s1

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VOKBWHZHYAHKMG-ZFYNFBQFSA-N

0 references

3 references

26 December 2021

15 September 2022

matched by identifier from

VOKBWHZHYAHKMG-ZFYNFBQFSA-N

UniChem compound ID

1 reference

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