(Q105152880)

English

[(1S,2R,7R,9R,11R,12S)-1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] but-2-enoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[(1S,2R,7R,11R,12S)-1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (Z)-but-2-enoate

1 reference

based on heuristic

inferred from SMILES

(1,2,5-Trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl) but-2-enoate

1 reference

based on heuristic

inferred from SMILES

332.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2R,7R,9R,11R,12R)-1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (Z)-but-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₄O₅

0 references

canonical SMILES

O=C(OC1CC2OC3C=C(C(=O)CC3(C)C1(C)C42OC4)C)C=CC

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isomeric SMILES

CC=CC(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(C)[C@]1(C)[C@]21CO1

0 references

Holarrhena floribunda

1 reference

New trichothecenes isolated from Holarrhena floribunda.

1 reference

Cyclodepsipeptides, sesquiterpenoids, and other cytotoxic metabolites from the filamentous fungus Trichothecium sp. (MSX 51320).

Identifiers

InChI=1S/C19H24O5/c1-5-6-16(21)24-14-8-15-19(10-22-19)18(14,4)17(3)9-12(20)11(2)7-13(17)23-15/h5-7,13-15H,8-10H2,1-4H3/t13-,14-,15-,17+,18-,19+/m1/s1

0 references

LJWZOKOFCBPNAG-VFXRYEDXSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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