(Q110077041)

English

[(2R,4S,7R,9R,10R,11S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] butanoate

group of stereoisomers with the chemical formula C₂₃H₃₂O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

452.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₉

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canonical SMILES

O=C(OCC12CC(OC(=O)CCC)C(=CC2OC3C(O)C(OC(=O)C)C1(C)C43OC4)C)C

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isomeric SMILES

CCCC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@@H](C=C1C)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)C2(C)C12CO2

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found in taxon

Fusarium sporotrichioides

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stated in

The structures of toxins from two strains of Fusarium tricinctum

Identifiers

InChI

InChI=1S/C23H32O9/c1-6-7-17(26)31-15-9-22(10-28-13(3)24)16(8-12(15)2)32-20-18(27)19(30-14(4)25)21(22,5)23(20)11-29-23/h8,15-16,18-20,27H,6-7,9-11H2,1-5H3/t15-,16+,18+,19+,20+,21?,22+,23?/m0/s1

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InChIKey

QAZLVSRKBUTUHB-AGJQMISUSA-N

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CAS Registry Number

98813-18-4

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QAZLVSRKBUTUHB-AGJQMISUSA-N

KNApSAcK ID

C00054163

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QAZLVSRKBUTUHB-AGJQMISUSA-N

(Q110077041)

[(2R,4S,7R,9R,10R,11S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] butanoate

Statements

Identifiers

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