(Q105359667)

English

(1R,9S,13S,21R)-17-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-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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type of chemical entity

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1 reference

17-[2-(2,4-dihydroxyphenyl)ethenyl]-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

630.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₃₄O₈

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canonical SMILES

OC1=CC=C(C=CC2=CC(O)=C3C(OC4(OC5=CC(O)=CC=C5C6CC(=CC3C64)C)C7=CC=C(O)C=8C=CC(OC87)(C)C)=C2)C(O)=C1

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isomeric SMILES

CC1=C[C@@H]2c3c(O)cc(/C=C/c4ccc(O)cc4O)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

Sorocea bonplandii

1 reference

stated in

Three New Diels-Alder Type Adducts from the Roots of Sorocea bonplandii Baillon

Identifiers

InChI

InChI=1S/C39H34O8/c1-20-14-27-25-9-8-24(41)19-33(25)45-39(29-10-11-30(42)26-12-13-38(2,3)47-37(26)29)36(27)28(15-20)35-32(44)16-21(17-34(35)46-39)4-5-22-6-7-23(40)18-31(22)43/h4-13,15-19,27-28,36,40-44H,14H2,1-3H3/b5-4+/t27-,28-,36-,39+/m1/s1

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InChIKey

YSIMPAVIBIIDOC-LSZNWXSRSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105359667)

(1R,9S,13S,21R)-17-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-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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