(Q104996857)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 3-[3-acetyloxy-4-[3-methyl-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybut-2-enoxy]phenyl]prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

650.221070516 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₈O₁₅

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canonical SMILES

O=C(OC)C=CC1=CC=C(OCC=C(C)COC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(OC(=O)C)=C1

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isomeric SMILES

COC(=O)/C=C/c1ccc(OC/C=C(\C)CO[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(OC(C)=O)c1

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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/C31H38O15/c1-17(12-13-39-24-10-8-23(9-11-27(37)38-7)14-25(24)42-19(3)33)15-41-31-30(45-22(6)36)29(44-21(5)35)28(43-20(4)34)26(46-31)16-40-18(2)32/h8-12,14,26,28-31H,13,15-16H2,1-7H3/b11-9+,17-12+/t26-,28-,29+,30-,31-/m1/s1

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InChIKey

FKWVVRYRECHJEZ-LBZYFMNSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FKWVVRYRECHJEZ-LBZYFMNSSA-N

(Q104996857)

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

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Identifiers

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