(Q105154536)

English

(1S,9R,13R,21S)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-17-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-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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subclass of

1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-17-[(1E)-2-(2,4-dihydroxyphenyl)ethenyl]-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

1-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-17-[2-(2,4-dihydroxyphenyl)ethenyl]-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

632.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₃₆O₈

0 references

canonical SMILES

OC1=CC=C(C=CC2=CC(O)=C3C(OC4(OC5=CC(O)=CC=C5C6CC(=CC3C64)C)C7=CC=C(O)C(=C7O)CC=C(C)C)=C2)C(O)=C1

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isomeric SMILES

CC(C)=CCc1c(O)ccc([C@@]23Oc4cc(O)ccc4[C@@H]4CC(C)=C[C@@H](c5c(O)cc(/C=C/c6ccc(O)cc6O)cc5O2)[C@H]43)c1O

0 references

found in taxon

Sorocea guilleminiana

1 reference

stated in

Sorocein I, a new Diels-Alder type adduct from Sorocea ilicifolia

Identifiers

InChI

InChI=1S/C39H36O8/c1-20(2)4-10-27-31(42)13-12-30(38(27)45)39-37-28(26-11-9-25(41)19-34(26)46-39)14-21(3)15-29(37)36-33(44)16-22(17-35(36)47-39)5-6-23-7-8-24(40)18-32(23)43/h4-9,11-13,15-19,28-29,37,40-45H,10,14H2,1-3H3/b6-5+/t28-,29-,37-,39+/m0/s1

0 references

InChIKey

LNWIREADZWQAFH-RTNZXRMLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LNWIREADZWQAFH-RTNZXRMLSA-N

(Q105154536)

(1S,9R,13R,21S)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-17-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-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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