(Q104989091)

English

(2S)-1-{12-[(2S)-2-(benzoyloxy)propyl]-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxoperylen-1-yl}propan-2-yl benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

1-{12-[2-(benzoyloxy)propyl]-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxoperylen-1-yl}propan-2-yl benzoate

1 reference

based on heuristic

inferred from SMILES

mass

758.236326656 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₃₈O₁₂

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canonical SMILES

O=C(OC(C)CC1=C(OC)C(=O)C2=C(O)C=C(OC)C=3C=4C(OC)=CC(O)=C5C(=O)C(OC)=C(C(C54)=C1C23)CC(OC(=O)C=6C=CC=CC6)C)C=7C=CC=CC7

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isomeric SMILES

COc1c(C[C@H](C)OC(=O)c2ccccc2)c2c3c(C[C@H](C)OC(=O)c4ccccc4)c(OC)c(=O)c4c(O)cc(OC)c(c5c(OC)cc(O)c(c1=O)c52)c43

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found in taxon

Cladosporium cladosporioides

1 reference

stated in

UCN-1028A, a novel and specific inhibitor of protein kinase C, from Cladosporium

Identifiers

InChI

InChI=1S/C44H38O12/c1-21(55-43(49)23-13-9-7-10-14-23)17-25-31-32-26(18-22(2)56-44(50)24-15-11-8-12-16-24)42(54-6)40(48)34-28(46)20-30(52-4)36(38(32)34)35-29(51-3)19-27(45)33(37(31)35)39(47)41(25)53-5/h7-16,19-22,45-46H,17-18H2,1-6H3/t21-,22-/m0/s1

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InChIKey

DTYXTBFGOFPLIJ-VXKWHMMOSA-N

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(Q104989091)

(2S)-1-{12-[(2S)-2-(benzoyloxy)propyl]-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxoperylen-1-yl}propan-2-yl benzoate

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