(Q105345326)

English

(Z)-4-[(1R,2R,15S,16R,17R,19S)-5-[(2R)-2,3-dihydroxy-3-methylbutyl]-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-[5-(2,3-Dihydroxy-3-methylbutyl)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

626.272712164 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z)-4-[(1R,2R,15S,16R,17R,19S)-5-[(2S)-2,3-dihydroxy-3-methylbutyl]-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₂O₁₁

0 references

canonical SMILES

O=C(O)C(=CCC12OC(C)(C)C3CC(C1=O)C(OC)C4C(=O)C5=C(O)C=6C=CC(OC6C(=C5OC432)CC(O)C(O)(C)C)(C)C)C

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isomeric SMILES

CO[C@H]1[C@@H]2C(=O)c3c(O)c4c(c(C[C@@H](O)C(C)(C)O)c3O[C@]23[C@@H]2C[C@H]1C(=O)[C@@]3(C/C=C(/C)C(=O)O)OC2(C)C)OC(C)(C)C=C4

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found in taxon

Garcinia hanburyi

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C34H42O11/c1-15(29(39)40)9-12-33-28(38)18-13-19(32(6,7)45-33)34(33)22(27(18)42-8)24(37)21-23(36)16-10-11-30(2,3)43-25(16)17(26(21)44-34)14-20(35)31(4,5)41/h9-11,18-20,22,27,35-36,41H,12-14H2,1-8H3,(H,39,40)/b15-9-/t18-,19-,20-,22+,27-,33-,34-/m1/s1

0 references

InChIKey

YACUINUOCLLMGT-LFNPWFTCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YACUINUOCLLMGT-LFNPWFTCSA-N

(Q105345326)

(Z)-4-[(1R,2R,15S,16R,17R,19S)-5-[(2R)-2,3-dihydroxy-3-methylbutyl]-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

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Identifiers

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