(Q104400282)

English

(2Z)-2-Methyl-4-[2,2,14,14-tetramethyl-5-hydroxy-6,9-dioxo-12-(3-methyl-2-butenyl)-10beta,10abeta,8beta-(epoxy[1,2,3]propanetriyl)-8,9,10,10a-tetrahydro-2H,6H-pyrano[3,2-b]xanthene-10-yl]-2-butenoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(E)-4-[(1R,2S,17S)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

(2Z)-4-[(1R,2S,17S)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

1 reference

1 reference

1 reference

560.241018112 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(E)-4-[(1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₃₆O₈

0 references

canonical SMILES

O=C(O)C(=CCC12OC(C)(C)C3CC(C=C4C(=O)C5=C(O)C=6C=CC(OC6C(=C5OC431)CC=C(C)C)(C)C)C2=O)C

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isomeric SMILES

CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@@H]1C(C)(C)O[C@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2

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found in taxon

Garcinia hanburyi

3 references

stated in

Cytotoxic polyprenylated xanthones from the resin of Garcinia hanburyi

stated in

Cytotoxic xanthones from Garcinia hanburyi

stated in

Antibacterial caged-tetraprenylated xanthones from the fruits of Garcinia hanburyi.

Garcinia gaudichaudii

2 references

stated in

Novel cytotoxic polyprenylated xanthonoids from Garcinia gaudichaudii (Guttiferae)

stated in

A highly rearranged tetraprenylxanthonoid from Garcinia gaudichaudii (Guttiferae)

Identifiers

InChI

InChI=1S/C33H36O8/c1-16(2)8-9-20-26-19(11-12-30(4,5)39-26)24(34)23-25(35)21-14-18-15-22-31(6,7)41-32(28(18)36,13-10-17(3)29(37)38)33(21,22)40-27(20)23/h8,10-12,14,18,22,34H,9,13,15H2,1-7H3,(H,37,38)/b17-10-/t18-,22+,32+,33-/m0/s1

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InChIKey

COVMVPHACFXMAX-NLAWGVGUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

COVMVPHACFXMAX-NLAWGVGUSA-N

1 reference

(Q104400282)

(2Z)-2-Methyl-4-[2,2,14,14-tetramethyl-5-hydroxy-6,9-dioxo-12-(3-methyl-2-butenyl)-10beta,10abeta,8beta-(epoxy[1,2,3]propanetriyl)-8,9,10,10a-tetrahydro-2H,6H-pyrano[3,2-b]xanthene-10-yl]-2-butenoic acid

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