(Q105157304)

English

methyl 7-[(9S)-2,5-dihydroxy-3-methoxycarbonyl-4-methyl-9-[(2R)-2-methylbutanoyl]oxy-10-oxoanthracen-9-yl]-3,8-dihydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

biogenic anthraquinones

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anthrone polyketide

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mass

708.184291084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₃₂O₁₃

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canonical SMILES

O=C(OC)C1=C(O)C=C2C(=O)C3=CC=C(C(O)=C3C(=O)C2=C1C)C4(OC(=O)C(C)CC)C=5C=CC=C(O)C5C(=O)C=6C4=CC(O)=C(C(=O)OC)C6C

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isomeric SMILES

CC[C@@H](C)C(=O)O[C@]1(c2ccc3c(c2O)C(=O)c2c(cc(O)c(C(=O)OC)c2C)C3=O)c2cccc(O)c2C(=O)c2c1cc(O)c(C(=O)OC)c2C

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found in taxon

Scutia myrtina

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stated in

Antiproliferative and antimalarial anthraquinones of Scutia myrtina from the Madagascar forest.

Identifiers

InChI

InChI=1S/C39H32O13/c1-7-15(2)36(47)52-39(20-9-8-10-23(40)31(20)35(46)27-17(4)29(38(49)51-6)25(42)14-22(27)39)21-12-11-18-30(33(21)44)34(45)26-16(3)28(37(48)50-5)24(41)13-19(26)32(18)43/h8-15,40-42,44H,7H2,1-6H3/t15-,39+/m1/s1

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InChIKey

LUBCWELSQUOSLN-RBUIJVNLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LUBCWELSQUOSLN-RBUIJVNLSA-N

(Q105157304)

methyl 7-[(9S)-2,5-dihydroxy-3-methoxycarbonyl-4-methyl-9-[(2R)-2-methylbutanoyl]oxy-10-oxoanthracen-9-yl]-3,8-dihydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylate

Statements

Identifiers

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