(Q105255923)

English

(1R)-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),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

biogenic benzofuran

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mass

558.131467664 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S)-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),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₂₂O₈

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canonical SMILES

OC1=CC=C(C(O)=C1)C23OC=4C=C(O)C=CC4C=5C=C(C=C(C6=C(O)C=C(C=C6O2)C=7OC=8C=C(O)C=CC8C7)C53)C

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isomeric SMILES

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

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found in taxon

Morus alba

1 reference

stated in

Structures of albanols a and b, two novel phenols from Morus alba bark

Identifiers

InChI

InChI=1S/C34H22O8/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/h2-15,35-39H,1H3/t34-/m0/s1

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InChIKey

SMHBZVSVLIBGGO-UMSFTDKQSA-N

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CAS Registry Number

87084-99-9

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SMHBZVSVLIBGGO-UMSFTDKQSA-N

1 reference

(Q105255923)

(1R)-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),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol

Statements

Identifiers

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