(Q105013621)

English

(1R,9S,13R,21R)-17-(6-hydroxy-1-benzofuran-2-yl)-1-(5-hydroxy-2,2-dimethylchromen-8-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

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

1 reference

based on heuristic

inferred from SMILES

mass

628.209717984 dalton

1 reference

2 references

inferred from InChIKey

1 reference

(1R,9S,13S,21R)-17-(6-hydroxy-1-benzofuran-2-yl)-1-(5-hydroxy-2,2-dimethylchromen-8-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 InChI

(1S,9S,13S,21R)-17-(6-hydroxy-1-benzofuran-2-yl)-1-(5-hydroxy-2,2-dimethylchromen-8-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 InChI

chemical formula

C₃₉H₃₂O₈

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canonical SMILES

OC=1C=CC=2C=C(OC2C1)C3=CC(O)=C4C(OC5(OC6=CC(O)=CC=C6C7CC(=CC4C75)C)C8=CC=C(O)C=9C=CC(OC98)(C)C)=C3

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isomeric SMILES

CC1=C[C@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@@H](C1)[C@H]23

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found in taxon

Morus macroura

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stated in

New Diels-Alder type adducts from Morus macroura and their anti-oxidant activities

Morus alba

2 references

stated in

Structures of three new 2-arylbenzofuran derivatives from the chinese crude drug "Sang-Bai-Pi" (morus root bark).

stated in

Chalcone derivatives from the root bark of Morus alba L. act as inhibitors of PTP1B and α-glucosidase

Identifiers

InChI

InChI=1S/C39H32O8/c1-19-12-26-24-7-6-23(41)18-33(24)45-39(28-8-9-29(42)25-10-11-38(2,3)47-37(25)28)36(26)27(13-19)35-30(43)14-21(16-34(35)46-39)31-15-20-4-5-22(40)17-32(20)44-31/h4-11,13-18,26-27,36,40-43H,12H2,1-3H3/t26-,27+,36-,39+/m1/s1

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InChIKey

GOBAQYCCUYZMJY-DKEHAURLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GOBAQYCCUYZMJY-DKEHAURLSA-N

1 reference

(Q105013621)

(1R,9S,13R,21R)-17-(6-hydroxy-1-benzofuran-2-yl)-1-(5-hydroxy-2,2-dimethylchromen-8-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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