(Q104998358)

English

methyl (1S,7S,8R,11R,12S,14R)-14-methyl-7-(3-methylbutanoyloxy)-6-oxatetracyclo[9.2.1.04,12.08,12]tetradeca-2,4-diene-14-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 14-methyl-7-(3-methylbutanoyloxy)-6-oxatetracyclo[9.2.1.04,12.08,12]tetradeca-2,4-diene-14-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

360.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₅

0 references

canonical SMILES

O=C(OC1OC=C2C=CC3CC24C1CCC4C3(C(=O)OC)C)CC(C)C

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isomeric SMILES

COC(=O)[C@]1(C)[C@@H]2C=CC3=CO[C@@H](OC(=O)CC(C)C)[C@@H]4CC[C@@H]1[C@]34C2

0 references

found in taxon

Trixis antimenorrhoea

1 reference

stated in

Trixikingolides and germacrene derivatives from Trixis species

Identifiers

InChI

InChI=1S/C21H28O5/c1-12(2)9-17(22)26-18-15-7-8-16-20(3,19(23)24-4)13-5-6-14(11-25-18)21(15,16)10-13/h5-6,11-13,15-16,18H,7-10H2,1-4H3/t13-,15+,16+,18+,20-,21-/m1/s1

0 references

InChIKey

FNLVWVNGNLUSMJ-NYWJQZHESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FNLVWVNGNLUSMJ-NYWJQZHESA-N

(Q104998358)

methyl (1S,7S,8R,11R,12S,14R)-14-methyl-7-(3-methylbutanoyloxy)-6-oxatetracyclo[9.2.1.04,12.08,12]tetradeca-2,4-diene-14-carboxylate

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