(Q104994159)

English

(1S,5S,7R,8S)-4-hydroxy-8-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-3-(2,4,5-trihydroxybenzoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-hydroxy-8-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-3-(2,4,5-trihydroxybenzoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

1 reference

based on heuristic

inferred from SMILES

mass

618.35565394 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₀O₇

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canonical SMILES

O=C(C1=CC(O)=C(O)C=C1O)C=2C(=O)C3(C(=O)C(C2O)(CC=C(C)C)CC(CC=C(C)C)C3(C)CCC=C(C)C)CC=C(C)C

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isomeric SMILES

CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1cc(O)c(O)cc1O)=C2O

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found in taxon

Garcinia calcicola

1 reference

stated in

Guttiferones K and L, antiproliferative compounds of Rheedia calcicola from the Madagascar rain forest

Identifiers

InChI

InChI=1S/C38H50O7/c1-22(2)11-10-16-36(9)26(13-12-23(3)4)21-37(17-14-24(5)6)33(43)31(32(42)27-19-29(40)30(41)20-28(27)39)34(44)38(36,35(37)45)18-15-25(7)8/h11-12,14-15,19-20,26,39-41,43H,10,13,16-18,21H2,1-9H3/t26-,36+,37+,38-/m1/s1

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InChIKey

FERVNTMHOSAJOS-HYOCDBLYSA-N

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(Q104994159)

(1S,5S,7R,8S)-4-hydroxy-8-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-3-(2,4,5-trihydroxybenzoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

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