(Q104908404)

English

(2S)-1-{21-[(2S)-2-(acetyloxy)propyl]-9,17-dihydroxy-6,20-dimethoxy-7,19-dioxo-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1(15),2,4(22),5,8,10,16,18(23),20-nonaen-5-yl}propan-2-yl acetate

chemical compound

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type of chemical entity

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subclass of

1-{21-[2-(acetyloxy)propyl]-9,17-dihydroxy-6,20-dimethoxy-7,19-dioxo-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1(15),2,4(22),5,8,10,16,18(23),20-nonaen-5-yl}propan-2-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

618.1737264 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-1-{21-[(2R)-2-(acetyloxy)propyl]-9,17-dihydroxy-6,20-dimethoxy-7,19-dioxo-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1(15),2,4(22),5,8,10,16,18(23),20-nonaen-5-yl}propan-2-yl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₃H₃₀O₁₂

0 references

canonical SMILES

O=C1C(OC)=C(C=2C=3C1=C(O)C=C4OCOC5=CC(O)=C6C(=O)C(OC)=C(C2C6=C5C43)CC(OC(=O)C)C)CC(OC(=O)C)C

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isomeric SMILES

COc1c(C[C@H](C)OC(C)=O)c2c3c(C[C@H](C)OC(C)=O)c(OC)c(=O)c4c(O)cc5c(c6c(cc(O)c(c1=O)c62)OCO5)c43

0 references

found in taxon

Cercospora setariae

1 reference

stated in

Screening of the genus Cercospora for secondary metabolites☆

Identifiers

InChI

InChI=1S/C33H30O12/c1-12(44-14(3)34)7-16-22-23-17(8-13(2)45-15(4)35)33(41-6)31(39)25-19(37)10-21-27(29(23)25)26-20(42-11-43-21)9-18(36)24(28(22)26)30(38)32(16)40-5/h9-10,12-13,36-37H,7-8,11H2,1-6H3/t12-,13-/m0/s1

0 references

InChIKey

AAWYBWDUDOICBF-STQMWFEESA-N

0 references

Probes And Drugs ID

PD076453

0 references

(Q104908404)

(2S)-1-{21-[(2S)-2-(acetyloxy)propyl]-9,17-dihydroxy-6,20-dimethoxy-7,19-dioxo-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1(15),2,4(22),5,8,10,16,18(23),20-nonaen-5-yl}propan-2-yl acetate

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