(Q105208152)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

dibenzofurans

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mass

552.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

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(C(=O)C)C)C(C)CC

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isomeric SMILES

CC[C@H](C)C(=O)c1c(O)c(C[C@H](C)C(C)=O)c2oc3c(C(=O)[C@@H](C)CC)c(O)c(CC=C(C)C)c(O)c3c2c1O

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Identifiers

InChI

InChI=1S/C32H40O8/c1-9-15(5)25(34)23-29(38)20(13-17(7)18(8)33)31-22(30(23)39)21-27(36)19(12-11-14(3)4)28(37)24(32(21)40-31)26(35)16(6)10-2/h11,15-17,36-39H,9-10,12-13H2,1-8H3/t15-,16-,17-/m0/s1

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InChIKey

PFTSKQQONBRAAH-ULQDDVLXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PFTSKQQONBRAAH-ULQDDVLXSA-N

(Q105208152)

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

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