(Q104962776)

English

[(E)-3-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybut-2-enyl] (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3-Methyl-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybut-2-enyl] 3-(3,4-diacetyloxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

678.215985136 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₈O₁₆

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canonical SMILES

O=C(OCC=C(C)COC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C=CC2=CC=C(OC(=O)C)C(OC(=O)C)=C2

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isomeric SMILES

CC(=O)OC[C@H]1O[C@@H](OC/C(C)=C/COC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

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found in taxon

Osteospermum imbricatum

1 reference

stated in

Sesquiterpene glycosides and other constituents from osteospermum species

Identifiers

InChI

InChI=1S/C32H38O16/c1-17(12-13-40-28(39)11-9-24-8-10-25(43-19(3)34)26(14-24)44-20(4)35)15-42-32-31(47-23(7)38)30(46-22(6)37)29(45-21(5)36)27(48-32)16-41-18(2)33/h8-12,14,27,29-32H,13,15-16H2,1-7H3/b11-9+,17-12+/t27-,29-,30+,31-,32-/m1/s1

0 references

InChIKey

CKTQPPNZMCOHMO-OPGOLAHMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CKTQPPNZMCOHMO-OPGOLAHMSA-N

(Q104962776)

[(E)-3-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybut-2-enyl] (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate

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