(Q105003825)

English

(1R,9S,13S,21R)-1-(2,4-dihydroxyphenyl)-17-[6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl]-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol

chemical compound

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instance of

type of chemical entity

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subclass of

1-(2,4-Dihydroxyphenyl)-17-[6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl]-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol

1 reference

based on heuristic

inferred from SMILES

mass

630.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₃₄O₈

0 references

canonical SMILES

OC1=CC=C(C(O)=C1)C23OC4=CC(O)=CC=C4C5CC(=CC(C6=C(O)C=C(C=C6O2)C=7OC8=C(C=CC(O)=C8CC=C(C)C)C7)C53)C

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isomeric SMILES

CC(C)=CCc1c(O)ccc2cc(-c3cc(O)c4c(c3)O[C@]3(c5ccc(O)cc5O)Oc5cc(O)ccc5[C@H]5CC(C)=C[C@H]4[C@@H]53)oc12

0 references

found in taxon

Morus mongolica

1 reference

stated in

Five new diels-alder type adducts from the stem and root bark of Morus mongolica

Identifiers

InChI

InChI=1S/C39H34O8/c1-19(2)4-8-26-30(42)11-5-21-15-33(45-38(21)26)22-14-32(44)36-28-13-20(3)12-27-25-9-6-24(41)18-34(25)46-39(37(27)28,47-35(36)16-22)29-10-7-23(40)17-31(29)43/h4-7,9-11,13-18,27-28,37,40-44H,8,12H2,1-3H3/t27-,28-,37-,39+/m1/s1

0 references

InChIKey

FXBLJQRPJOXWDU-RDJDWHSLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FXBLJQRPJOXWDU-RDJDWHSLSA-N

(Q105003825)

(1R,9S,13S,21R)-1-(2,4-dihydroxyphenyl)-17-[6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl]-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol

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