(Q105217458)

English

(1S,9S,13S,21R)-1-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)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-hydroxy-3-methylbutyl)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

650.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,9S,13R,21R)-1-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₃₈O₉

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)CCC(O)(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)c(CCC(C)(C)O)c4O)Oc4cc(O)ccc4[C@@H](C1)[C@H]23

0 references

found in taxon

Sorocea guilleminiana

1 reference

stated in

Sorocein L and Sorocein M: Two Diels−Alder Type Adducts fromSorocea ilicifolia

Identifiers

InChI

InChI=1S/C39H38O9/c1-20-14-27-25-9-8-24(41)19-33(25)47-39(29-10-11-30(42)26(37(29)45)12-13-38(2,3)46)36(27)28(15-20)35-32(44)16-21(17-34(35)48-39)4-5-22-6-7-23(40)18-31(22)43/h4-11,15-19,27-28,36,40-46H,12-14H2,1-3H3/b5-4+/t27-,28-,36-,39-/m1/s1

0 references

InChIKey

QAJFPEYQEDURAN-BMQGYFGXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QAJFPEYQEDURAN-BMQGYFGXSA-N

(Q105217458)

(1S,9S,13S,21R)-1-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)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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