(Q104991164)

English

(1R)-1-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

644.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₃₂O₉

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canonical SMILES

OC=1C=CC=2C=C(OC2C1)C3=CC(O)=C4C(OC5(OC=6C=C(O)C=CC6C=7C=C(C=C4C75)C)C8=CC=C(O)C(=C8O)CCC(O)(C)C)=C3

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isomeric SMILES

Cc1cc2c3c(c1)-c1c(O)cc(-c4cc5ccc(O)cc5o4)cc1O[C@]3(c1ccc(O)c(CCC(C)(C)O)c1O)Oc1cc(O)ccc1-2

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found in taxon

Sorocea bonplandii

1 reference

stated in

Sorocenols C-F, Four New Isoprenylated Phenols from the Root Bark of Sorocea bonplandii Baillon

Identifiers

InChI

InChI=1S/C39H32O9/c1-19-12-26-24-7-6-23(41)18-33(24)47-39(28-8-9-29(42)25(37(28)44)10-11-38(2,3)45)36(26)27(13-19)35-30(43)14-21(16-34(35)48-39)31-15-20-4-5-22(40)17-32(20)46-31/h4-9,12-18,40-45H,10-11H2,1-3H3/t39-/m0/s1

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InChIKey

DXRMPQWVXOWYBT-KDXMTYKHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DXRMPQWVXOWYBT-KDXMTYKHSA-N

(Q104991164)

(1R)-1-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol

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Identifiers

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