(Q105154571)

English

(E)-1-[(1R,9S,13S,21R)-7,17-dihydroxy-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),4,6,10,14(19),15,17-heptaen-6-yl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

(E)-1-[7,17-dihydroxy-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),4,6,10,14(19),15,17-heptaen-6-yl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

1-[7,17-Dihydroxy-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),4,6,10,14(19),15,17-heptaen-6-yl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

658.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(E)-1-[(1R,9R,13S,21R)-7,17-dihydroxy-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),4,6,10,14(19),15,17-heptaen-6-yl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₃₄O₉

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canonical SMILES

O=C(C=CC1=CC=C(O)C=C1O)C2=CC=C3OC4(OC5=CC(O)=CC=C5C6CC(=CC(C3=C2O)C64)C)C7=CC=C(O)C=8C=CC(OC87)(C)C

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isomeric SMILES

CC1=C[C@@H]2c3c(ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)O[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/C40H34O9/c1-20-16-27-24-8-7-23(42)19-34(24)48-40(29-10-12-31(44)26-14-15-39(2,3)49-38(26)29)36(27)28(17-20)35-33(47-40)13-9-25(37(35)46)30(43)11-5-21-4-6-22(41)18-32(21)45/h4-15,17-19,27-28,36,41-42,44-46H,16H2,1-3H3/b11-5+/t27-,28-,36-,40-/m1/s1

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InChIKey

LNXVDAWSKJIGHT-UYTXMRSUSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105154571)

(E)-1-[(1R,9S,13S,21R)-7,17-dihydroxy-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),4,6,10,14(19),15,17-heptaen-6-yl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one

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