(Q105269540)

English

[(1S,2S,4R,8R,10S)-12-(acetyloxymethyl)-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-methylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

12-[(acetyloxy)methyl]-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-11-en-10-yl 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

406.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,4S,8S,10R)-12-(acetyloxymethyl)-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₁H₂₆O₈

0 references

canonical SMILES

O=C(OC1C2=C(C(=O)OC2C3OC3(C)CCC(=O)C(C)C1)COC(=O)C)C(=C)C

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isomeric SMILES

C=C(C)C(=O)O[C@H]1C[C@@H](C)C(=O)CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(COC(C)=O)=C12

0 references

found in taxon

Stilpnopappus pratensis

1 reference

stated in

Germacranolides from Stilpnopappus species

Stilpnopappus tomentosus

1 reference

stated in

Germacranolides from Stilpnopappus species

Identifiers

InChI

InChI=1S/C21H26O8/c1-10(2)19(24)27-15-8-11(3)14(23)6-7-21(5)18(29-21)17-16(15)13(20(25)28-17)9-26-12(4)22/h11,15,17-18H,1,6-9H2,2-5H3/t11-,15+,17+,18+,21-/m1/s1

0 references

InChIKey

UBOLKRSAKMGLTQ-HXNNHABZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UBOLKRSAKMGLTQ-HXNNHABZSA-N

(Q105269540)

[(1S,2S,4R,8R,10S)-12-(acetyloxymethyl)-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-methylprop-2-enoate

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