(Q105346768)

English

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2S)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (E)-3-phenylprop-2-enoate

chemical compound

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default values for all languages

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No description defined

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Statements

instance of

type of chemical entity

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subclass of

methyl aloesinyl cinnamate

1 reference

based on heuristic

inferred from SMILES

mass

540.199547224 dalton

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based on heuristic

inferred from SMILES

stereoisomer of

methyl aloesinyl cinnamate

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based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₂O₁₀

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1C2=C(OC)C=C(C=3C(=O)C=C(OC32)CC(O)C)C)CO)C=CC=4C=CC=CC4

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isomeric SMILES

COc1cc(C)c2c(=O)cc(C[C@H](C)O)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccccc1

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found in taxon

Aloe barbadensis

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stated in

Three chromone components from Aloe vera leaves

Aloe rubroviolacea

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stated in

Constituents of Aloe rubroviolacea

Aloe vera

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stated in

Three chromone components from Aloe vera leaves

Identifiers

InChI

InChI=1S/C29H32O10/c1-15-11-20(36-3)24(27-23(15)19(32)13-18(37-27)12-16(2)31)28-29(26(35)25(34)21(14-30)38-28)39-22(33)10-9-17-7-5-4-6-8-17/h4-11,13,16,21,25-26,28-31,34-35H,12,14H2,1-3H3/b10-9+/t16-,21+,25+,26-,28-,29+/m0/s1

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InChIKey

YDJIHVUNYBLYLF-UYJHPQCRSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105346768)

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2S)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (E)-3-phenylprop-2-enoate

Statements

Identifiers

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