(Q105365727)

English

[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-(2-hydroxy-3-methoxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₃H₄₂O₁₈

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Statements

instance of

group of stereoisomers

0 references

1 reference

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=CC=6C=CC=C(OC)C6O

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found in taxon

Verbascum pulverulentum

1 reference

stated in

Iridoids from Verbascum dentifolium

Identifiers

InChI

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

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InChIKey

YVOGRPNRFIQCKB-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YVOGRPNRFIQCKB-UHFFFAOYSA-N

(Q105365727)

[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-(2-hydroxy-3-methoxyphenyl)prop-2-enoate

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Identifiers

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