(Q105139969)

English

Daldinin E

chemical compound

In more languages

Statements

type of chemical entity

0 references

(7-acetyloxy-3'-hydroxy-6',7-dimethyl-6,8-dioxospiro[4H-isochromene-3,2'-oxane]-4-yl) 2-methylhexa-2,4-dienoate

1 reference

based on heuristic

inferred from SMILES

460.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3R,3'R,4S,6'S,7S)-7-acetyloxy-3'-hydroxy-6',7-dimethyl-6,8-dioxospiro[4H-isochromene-3,2'-oxane]-4-yl] (2E,4E)-2-methylhexa-2,4-dienoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₈O₉

0 references

canonical SMILES

O=C(OC1C2=CC(=O)C(OC(=O)C)(C(=O)C2=COC31OC(C)CCC3O)C)C(=CC=CC)C

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isomeric SMILES

C/C=C/C=C(\C)C(=O)O[C@@H]1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CO[C@@]12O[C@@H](C)CC[C@H]2O

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Hypoxylon fuscum

3 references

Cyclic azaphilones daldinins E and F from the ascomycete fungus Hypoxylon fuscum (Xylariaceae).

Cyclic azaphilones daldinins E and F from the ascomycete fungus Hypoxylon fuscum (Xylariaceae).

Cyclic azaphilones daldinins E and F from the ascomycete fungus Hypoxylon fuscum (Xylariaceae).

Identifiers

InChI=1S/C24H28O9/c1-6-7-8-13(2)22(29)31-21-16-11-19(27)23(5,33-15(4)25)20(28)17(16)12-30-24(21)18(26)10-9-14(3)32-24/h6-8,11-12,14,18,21,26H,9-10H2,1-5H3/b7-6+,13-8+/t14-,18+,21+,23-,24-/m0/s1

0 references

KEHOQOMYJLDTRB-VYIZNDCLSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

KEHOQOMYJLDTRB-VYIZNDCLSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C24H28O9/c1-6-7-8-13(2)22(29)31-21-16-11-19(27)23(5,33-15(4)25)20(28)17(16)12-30-24(21)18(26)10-9-14(3)32-24/h6-8,11-12,14,18,21,26H,9-10H2,1-5H3/b7-6+,13-8+/t14-,18+,21+,23-,24-/m0/s1

UniChem compound ID

1 reference

NMRShiftDB structure ID

1 reference

matched by identifier from

KEHOQOMYJLDTRB-VYIZNDCLSA-N

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

KEHOQOMYJLDTRB-VYIZNDCLSA-N

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