(Q105137950)

English

(8S,8Ar,12aR)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-8-(3,4,6,8-tetrahydroxy-9-oxoxanthen-1-yl)-8,8a,10,12a-tetrahydroindeno[1,2-a]xanthen-13-one

chemical compound

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instance of

type of chemical entity

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subclass of

(8aS,12aS)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-8-(3,4,6,8-tetrahydroxy-9-oxoxanthen-1-yl)-8,8a,10,12a-tetrahydroindeno[1,2-a]xanthen-13-one

1 reference

based on heuristic

inferred from SMILES

mass

652.158076336 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-[(8S,8aS,12aR)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8H,8aH,10H,12aH-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₂₈O₁₂

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canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC=3C(O)=C(O)C=C(C13)C4C5=C(O)C(O)=C6OC=7C=C(O)C=C(O)C7C(=O)C6=C5C8C=C(C)CC(C)(C)C84

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isomeric SMILES

CC1=C[C@H]2c3c(c(O)c(O)c4oc5cc(O)cc(O)c5c(=O)c34)[C@H](c3cc(O)c(O)c4oc5cc(O)cc(O)c5c(=O)c34)[C@@H]2C(C)(C)C1

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found in taxon

Garcinia griffithii

1 reference

stated in

Antiplasmodial and other constituents from four Indonesian Garcinia spp.

Garcinia virgata

1 reference

stated in

Prenylated xanthones and tocotrienols from Garcinia virgata

Garcinia dulcis

1 reference

stated in

Prenylated xanthones from the stem bark of Garcinia dulcis

Identifiers

InChI

InChI=1S/C36H28O12/c1-11-4-15-21-26(32(45)33(46)35-27(21)31(44)25-17(40)6-13(38)8-20(25)48-35)22(28(15)36(2,3)10-11)14-9-18(41)29(42)34-23(14)30(43)24-16(39)5-12(37)7-19(24)47-34/h4-9,15,22,28,37-42,45-46H,10H2,1-3H3/t15-,22-,28+/m0/s1

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InChIKey

KAPVRSRPLHVWCH-DABBQTFLSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

KAPVRSRPLHVWCH-DABBQTFLSA-N

1 reference

(Q105137950)

(8S,8Ar,12aR)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-8-(3,4,6,8-tetrahydroxy-9-oxoxanthen-1-yl)-8,8a,10,12a-tetrahydroindeno[1,2-a]xanthen-13-one

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