(Q105252154)

English

8-[(3,3-Dimethyloxiran-2-yl)methoxymethyl]-11-hydroxy-2-isopropenyl-5-methyl-12-oxo-1,2,3,12-tetrahydropyrano[3,2-a]xanthen-1-yl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[8-[(3,3-dimethyloxiran-2-yl)-methoxymethyl]-11-hydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-1-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

494.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S)-8-[(S)-[(2S)-3,3-dimethyloxiran-2-yl]-methoxymethyl]-11-hydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-1-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₀O₈

0 references

canonical SMILES

O=C(OC1C2=C(OCC1C(=C)C)C(=CC=3OC4=C(C(=O)C32)C(O)=CC=C4C(OC)C5OC5(C)C)C)C

0 references

isomeric SMILES

C=C(C)[C@H]1COc2c(C)cc3oc4c([C@@H](OC)[C@@H]5OC5(C)C)ccc(O)c4c(=O)c3c2[C@@H]1OC(C)=O

0 references

found in taxon

Aspergillus rugulosus

1 reference

stated in

Prenylxanthones and a bicyclo[3.3.1]nona-2,6-diene derivative from the fungus Emericella rugulosa.

Identifiers

InChI

InChI=1S/C28H30O8/c1-12(2)16-11-33-23-13(3)10-18-20(21(23)25(16)34-14(4)29)22(31)19-17(30)9-8-15(24(19)35-18)26(32-7)27-28(5,6)36-27/h8-10,16,25-27,30H,1,11H2,2-7H3/t16-,25-,26-,27+/m1/s1

0 references

InChIKey

SFYPAIOIHIQQBW-ZCRCEUOWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SFYPAIOIHIQQBW-ZCRCEUOWSA-N

1 reference

(Q105252154)

8-[(3,3-Dimethyloxiran-2-yl)methoxymethyl]-11-hydroxy-2-isopropenyl-5-methyl-12-oxo-1,2,3,12-tetrahydropyrano[3,2-a]xanthen-1-yl acetate

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