(Q105233082)

English

(4aR)-4,4aalpha,9a,10-Tetrahydro-9aalpha-(acetoxymethyl)-3-(hydroxymethyl)-5-[(2-methylpropanoyloxy)methyl]furo[2,3-h][3]benzoxepin-2(10abetaH)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[9a-(Acetyloxymethyl)-3-(hydroxymethyl)-2-oxo-4,4a,10,10a-tetrahydrofuro[3,2-h][3]benzoxepin-5-yl]methyl 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

406.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆O₈

0 references

canonical SMILES

O=C1OC2C(=C1CO)CC3C(=COC=CC3(COC(=O)C)C2)COC(=O)C(C)C

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isomeric SMILES

CC(=O)OC[C@@]12C=COC=C(COC(=O)C(C)C)[C@@H]1CC1=C(CO)C(=O)O[C@H]1C2

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found in taxon

Mikania microptera

1 reference

stated in

Sesquiterpene lactones and other constituents of Mikania rimachii and Mikania microptera

Identifiers

InChI

InChI=1S/C21H26O8/c1-12(2)19(24)27-10-14-9-26-5-4-21(11-28-13(3)23)7-18-15(6-17(14)21)16(8-22)20(25)29-18/h4-5,9,12,17-18,22H,6-8,10-11H2,1-3H3/t17-,18-,21-/m0/s1

0 references

InChIKey

RBESYRLTNBGSPG-WFXMLNOXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RBESYRLTNBGSPG-WFXMLNOXSA-N

1 reference

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