(Q105314819)

English

(2R)-2-methyl-1-[1,3,7,9-tetrahydroxy-4-[(2R)-2-hydroxy-3-methylbut-3-enyl]-6-[(2R)-2-methylbutanoyl]-8-(3-methylbut-2-enyl)dibenzofuran-2-yl]butan-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-methyl-1-[3,5,11,13-tetrahydroxy-6-(2-hydroxy-3-methylbut-3-en-1-yl)-12-(3-methylbut-2-en-1-yl)-10-(2-methylbutanoyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]butan-1-one

1 reference

based on heuristic

inferred from SMILES

mass

552.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-2-methyl-1-[1,3,7,9-tetrahydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]-6-[(2R)-2-methylbutanoyl]-8-(3-methylbut-2-enyl)dibenzofuran-2-yl]butan-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₀O₈

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canonical SMILES

O=C(C=1C(O)=C2C(OC=3C(=C(O)C(=C(O)C32)CC=C(C)C)C(=O)C(C)CC)=C(C1O)CC(O)C(=C)C)C(C)CC

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isomeric SMILES

C=C(C)[C@H](O)Cc1c(O)c(C(=O)[C@H](C)CC)c(O)c2c1oc1c(C(=O)[C@H](C)CC)c(O)c(CC=C(C)C)c(O)c12

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Identifiers

InChI

InChI=1S/C32H40O8/c1-9-16(7)25(34)23-29(38)19(13-20(33)15(5)6)31-22(30(23)39)21-27(36)18(12-11-14(3)4)28(37)24(32(21)40-31)26(35)17(8)10-2/h11,16-17,20,33,36-39H,5,9-10,12-13H2,1-4,6-8H3/t16-,17-,20-/m1/s1

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InChIKey

WXPMFVVMYYHSEH-MBOZVWFJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105314819)

(2R)-2-methyl-1-[1,3,7,9-tetrahydroxy-4-[(2R)-2-hydroxy-3-methylbut-3-enyl]-6-[(2R)-2-methylbutanoyl]-8-(3-methylbut-2-enyl)dibenzofuran-2-yl]butan-1-one

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