(Q104922371)

English

[4,5-Diacetyloxy-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-(4-methoxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₅H₄₄O₁₈

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Statements

instance of

group of stereoisomers

0 references

1 reference

752.252764568 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₄O₁₈

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canonical SMILES

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

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found in taxon

Scrophularia nodosa

1 reference

stated in

A new iridoid from Scrophularia auriculata ssp. pseudoauriculata

Identifiers

InChI

InChI=1S/C35H44O18/c1-15-27(50-22(40)10-7-18-5-8-19(44-4)9-6-18)29(47-16(2)38)30(48-17(3)39)34(46-15)51-28-20-11-12-45-32(23(20)35(14-37)31(28)53-35)52-33-26(43)25(42)24(41)21(13-36)49-33/h5-12,15,20-21,23-34,36-37,41-43H,13-14H2,1-4H3

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InChIKey

BARAUATXLYPTGX-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BARAUATXLYPTGX-UHFFFAOYSA-N

(Q104922371)

[4,5-Diacetyloxy-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-(4-methoxyphenyl)prop-2-enoate

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