(Q104415350)

English

[(2R,3S,4R,5S,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(2S)-5-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]oxan-3-yl] acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

4,5-bis(acetyloxy)-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}-2-({[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl acetate

1 reference

based on heuristic

inferred from SMILES

[(2R,3S,4R,5S,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]oxan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

846.258243872 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(2S)-5-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]oxan-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₄₆O₂₀

0 references

canonical SMILES

O=C(OC1C(OC=2C=C(O)C=3C(=O)CC(OC3C2)C4=CC=C(OC)C=C4)OC(COC5OC(C)C(OC(=O)C)C(OC(=O)C)C5OC(=O)C)C(OC(=O)C)C1OC(=O)C)C

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isomeric SMILES

COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)cc3O2)cc1

0 references

1 reference

A chlorinated monoterpene ketone, acylated beta-sitosterol glycosides and a flavanone glycoside from Mentha longifolia (Lamiaceae).

Mentha longifolia

1 reference

A chlorinated monoterpene ketone, acylated beta-sitosterol glycosides and a flavanone glycoside from Mentha longifolia (Lamiaceae).

Identifiers

InChI=1S/C40H46O20/c1-17-33(52-18(2)41)35(54-20(4)43)37(56-22(6)45)39(51-17)50-16-31-34(53-19(3)42)36(55-21(5)44)38(57-23(7)46)40(60-31)58-26-13-27(47)32-28(48)15-29(59-30(32)14-26)24-9-11-25(49-8)12-10-24/h9-14,17,29,31,33-40,47H,15-16H2,1-8H3/t17-,29+,31-,33+,34+,35-,36-,37+,38+,39-,40-/m1/s1

0 references

CSAROSKQFRHMSZ-ZSSMKHLUSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

CSAROSKQFRHMSZ-ZSSMKHLUSA-N

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