(Q76100290)

English

(1S,4aR,12aS)-3-acetyl-4a-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,7,9-tetrahydroxy-1-methoxy-12,12a-dihydro-1H-tetracene-2,5-dione

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

674.221070516 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₃H₃₈O₁₅

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canonical SMILES

COC1C(=O)C(C(C)=O)=C(O)C2(OC3CC(OC4CC(O)C(O)C(C)O4)C(O)C(C)O3)C(=O)c3c(cc4cc(O)cc(O)c4c3O)CC12

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)O[C@@]34[C@@H](CC5=CC6=CC(=CC(=C6C(=C5C3=O)O)O)O)[C@@H](C(=O)C(=C4O)C(=O)C)OC)O)O

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Identifiers

InChI

InChI=1S/C33H38O15/c1-11(34)23-29(41)30(44-4)17-7-15-5-14-6-16(35)8-18(36)24(14)28(40)25(15)32(43)33(17,31(23)42)48-22-10-20(27(39)13(3)46-22)47-21-9-19(37)26(38)12(2)45-21/h5-6,8,12-13,17,19-22,26-27,30,35-40,42H,7,9-10H2,1-4H3/t12-,13-,17+,19-,20-,21+,22+,26+,27-,30+,33-/m1/s1

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InChIKey

MSZWVMYMDWJNJY-JYVXNHNOSA-N

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PubChem CID

443797

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(Q76100290)

(1S,4aR,12aS)-3-acetyl-4a-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,7,9-tetrahydroxy-1-methoxy-12,12a-dihydro-1H-tetracene-2,5-dione

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