(Q105165461)

English

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

chemical compound

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type of chemical entity

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subclass of

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

1 reference

1 reference

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

1 reference

based on heuristic

inferred from SMILES

mass

562.162767792 dalton

1 reference

2 references

inferred from InChIKey

1 reference

1 reference

C₃₄H₂₆O₈

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canonical SMILES

OC1=CC=C(C(O)=C1)C23OC4=CC(O)=CC=C4C5CC(=CC(C6=C(O)C=C(C=C6O2)C=7OC=8C=C(O)C=CC8C7)C53)C

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isomeric SMILES

CC1=C[C@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@@]3(c4ccc(O)cc4O)Oc4cc(O)ccc4[C@@H](C1)[C@H]23

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found in taxon

Broussonetia papyrifera

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stated in

Aromatase inhibitors from Broussonetia papyrifera

Identifiers

InChI

InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23-,24+,33-,34-/m1/s1

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InChIKey

MJJWBJFYYRAYKU-WPFUYSAKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MJJWBJFYYRAYKU-WPFUYSAKSA-N

1 reference

(Q105165461)

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

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