(Q27166488)

Epiisopicropodophyllin (English)

5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

9 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

1 reference

5,8,8abeta,9-Tetrahydro-9beta-hydroxy-5alpha-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aalphaH)-one

1 reference

based on heuristic

inferred from InChI

5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₂O₈

1 reference

Epiisopicropodophyllin (English)

9 October 2016

canonical SMILES

COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O

1 reference

Epiisopicropodophyllin (English)

9 October 2016

isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O

1 reference

Epiisopicropodophyllin (English)

InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18-,19+,20+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

Epiisopicropodophyllin (English)

YJGVMLPVUAXIQN-YFMMTPMMSA-N

9 October 2016

InChIKey

2 references

Epiisopicropodophyllin (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5R,5aR,8aS,9R)-9-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one (English)

9 October 2016

2 references

Epiisopicropodophyllin (English)

matched by identifier from

9 October 2016

InChIKey

YJGVMLPVUAXIQN-YFMMTPMMSA-N

ChEBI ID

94679

mapping relation type

2 references

(5R,5aS,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one (English)