(Q105142438)

English

[4-Acetyloxy-4-methyl-1-[2-methyl-3-[[4-[2-(3-methylbut-2-enoylamino)ethyl]phenoxy]methyl]oxiran-2-yl]pentan-3-yl] acetate

group of stereoisomers with the chemical formula C₂₇H₃₉NO₇

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Statements

instance of

group of stereoisomers

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subclass of

2,6-dimethyloctane monoterpenoid

1 reference

inferred from

2,6-dimethyloctane monoterpenoid

phenethylamine alkaloid

1 reference

inferred from

phenethylamine alkaloid

mass

489.27265258799986 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₉NO₇

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canonical SMILES

CC(=O)OC(CCC1(C)OC1COc1ccc(CCNC(=O)C=C(C)C)cc1)C(C)(C)OC(C)=O

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Identifiers

InChI

InChI=1S/C27H39NO7/c1-18(2)16-25(31)28-15-13-21-8-10-22(11-9-21)32-17-24-27(7,35-24)14-12-23(33-19(3)29)26(5,6)34-20(4)30/h8-11,16,23-24H,12-15,17H2,1-7H3,(H,28,31)

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InChIKey

KKYDPPWGPQTTKD-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

KKYDPPWGPQTTKD-UHFFFAOYSA-N

1 reference

NMRShiftDB structure ID

10018192

1 reference

matched by identifier from

InChIKey

KKYDPPWGPQTTKD-UHFFFAOYSA-N

(Q105142438)

[4-Acetyloxy-4-methyl-1-[2-methyl-3-[[4-[2-(3-methylbut-2-enoylamino)ethyl]phenoxy]methyl]oxiran-2-yl]pentan-3-yl] acetate

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Identifiers

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