(Q105266943)

English

(2S,3R)-4,8-dihydroxy-2-(2-hydroxypropan-2-yl)-7-methoxy-6-(3-methylbut-2-enyl)-3-[1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9-oxoxanthen-4-yl]-2,3-dihydrofuro[3,2-b]xanthen-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

4,8-Dihydroxy-2-(2-hydroxypropan-2-yl)-7-methoxy-6-(3-methylbut-2-enyl)-3-[1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9-oxoxanthen-4-yl]-2,3-dihydrofuro[3,2-b]xanthen-5-one

1 reference

based on heuristic

inferred from SMILES

mass

834.32514166 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₈H₅₀O₁₃

0 references

canonical SMILES

O=C1C=2C(O)=C3C(OC(C3C4=C(O)C(=C(O)C=5C(=O)C=6C(OC54)=CC(O)=C(OC)C6CC=C(C)C)CC=C(C)C)C(O)(C)C)=CC2OC7=CC(O)=C(OC)C(=C17)CC=C(C)C

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isomeric SMILES

COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)[C@H](c1c(O)c(CC=C(C)C)c(O)c2c(=O)c3c(CC=C(C)C)c(OC)c(O)cc3oc12)[C@@H](C(C)(C)O)O4

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found in taxon

mangosteen

1 reference

stated in

Cytotoxic xanthone constituents of the stem bark of Garcinia mangostana (mangosteen).

Identifiers

InChI

InChI=1S/C48H50O13/c1-20(2)11-14-23-32-28(17-26(49)44(23)57-9)59-31-19-30-34(43(55)35(31)41(32)53)36(47(61-30)48(7,8)56)37-39(51)25(16-13-22(5)6)40(52)38-42(54)33-24(15-12-21(3)4)45(58-10)27(50)18-29(33)60-46(37)38/h11-13,17-19,36,47,49-52,55-56H,14-16H2,1-10H3/t36-,47+/m1/s1

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InChIKey

TXRIJCKIVJGAAY-OUCNJGTRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TXRIJCKIVJGAAY-OUCNJGTRSA-N

(Q105266943)

(2S,3R)-4,8-dihydroxy-2-(2-hydroxypropan-2-yl)-7-methoxy-6-(3-methylbut-2-enyl)-3-[1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9-oxoxanthen-4-yl]-2,3-dihydrofuro[3,2-b]xanthen-5-one

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