(Q105131826)

English

(1R,3R,4S)-4,7,10-trihydroxy-1,3-dimethyl-6-[(1R,3R,4S)-4,5,10-trihydroxy-1,3-dimethyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H-naphtho[2,3-c]pyran-9-yl]-1H,3H,4H-naphtho[2,3-c]pyran-8,9-dione

chemical compound

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type of chemical entity

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subclass of

chemical compound

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mass

726.2159851360001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(1R,3R,4R)-4,7,10-trihydroxy-1,3-dimethyl-6-[(1R,3R,4R)-4,5,10-trihydroxy-1,3-dimethyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H-naphtho[2,3-c]pyran-9-yl]-1H,3H,4H-naphtho[2,3-c]pyran-8,9-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₆H₃₈O₁₆

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canonical SMILES

CC1OC(C)C(O)c2cc3c(c(O)c21)C(=O)C(=O)C(=O)C3c1cc(OC2OC(CO)C(O)C(O)C2O)cc2c(O)c3c(c(O)c12)C(C)OC(C)C3O

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isomeric SMILES

C[C@H]1O[C@H](C)[C@@H](O)c2cc3c(c(O)c21)C(=O)C(=O)C(=O)C3c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(O)c3c(c(O)c12)[C@@H](C)O[C@H](C)[C@H]3O

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Identifiers

InChI

InChI=1S/C36H38O16/c1-9-19-17(25(38)11(3)49-9)7-15-21(31(44)34(47)32(45)23(15)29(19)42)14-5-13(51-36-35(48)33(46)28(41)18(8-37)52-36)6-16-22(14)30(43)20-10(2)50-12(4)26(39)24(20)27(16)40/h5-7,9-12,18,25-26,28,33,35-44,46,48H,8H2,1-4H3/t9-,10-,11-,12-,18-,25-,26-,28-,33+,35-,36-/m1/s1

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InChIKey

JNCPSDAJMJRBRK-FOXIJGNXSA-N

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PubChem CID

135545974

1 reference

based on heuristic

inferred from InChIKey

1 reference

(Q105131826)

(1R,3R,4S)-4,7,10-trihydroxy-1,3-dimethyl-6-[(1R,3R,4S)-4,5,10-trihydroxy-1,3-dimethyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H-naphtho[2,3-c]pyran-9-yl]-1H,3H,4H-naphtho[2,3-c]pyran-8,9-dione

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