(Q104400094)

English

[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₄H₄₄O₁₉

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Statements

group of stereoisomers

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alkyl caffeate ester

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alkyl caffeate ester

756.2476791879999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₄H₄₄O₁₉

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canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(O)C(O)=C2)C(O)C1OC3OC(C)C(O)C(O)C3O)COC4OCC(O)C(O)C4O)C=CC5=CC=C(O)C(O)=C5

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isomeric SMILES

C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

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Verbascum sinaiticum

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Phenylethanoid glycosides from Osmanthus asiaticus

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A phenylpropanoid glycoside from Ballota nigra

Identifiers

InChI=1S/C34H44O19/c1-14-24(41)26(43)28(45)34(50-14)53-31-29(46)33(47-9-8-16-3-6-18(36)20(38)11-16)51-22(13-49-32-27(44)25(42)21(39)12-48-32)30(31)52-23(40)7-4-15-2-5-17(35)19(37)10-15/h2-7,10-11,14,21-22,24-39,41-46H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25-,26+,27+,28+,29+,30+,31+,32-,33+,34?/m0/s1

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XPLMUADTACCMDJ-QCKTWRAWSA-N

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26 December 2021

matched by identifier from

XPLMUADTACCMDJ-QCKTWRAWSA-N

UniChem compound ID

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