(Q27251977)

Assafoetidnol B (English)

[(2S,4aR,5R,7S,8S,8aS)-7,8-dihydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate

14 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₂O₇

1 reference

Assafoetidnol B (English)

14 October 2016

canonical SMILES

CC(=O)OC1CCC2(C(C(=C)C(C(C2C1(C)C)O)O)COC3=CC4=C(C=C3)C=CC(=O)O4)C

1 reference

Assafoetidnol B (English)

14 October 2016

isomeric SMILES

CC(=O)O[C@H]1CC[C@]2([C@H](C(=C)[C@@H]([C@H]([C@@H]2C1(C)C)O)O)COC3=CC4=C(C=C3)C=CC(=O)O4)C

1 reference

Sesquiterpene coumarins from the roots of Ferula assa-foetida

Assafoetidnol B (English)

14 October 2016

1 reference

Identifiers

InChI

InChI=1S/C26H32O7/c1-14-18(13-31-17-8-6-16-7-9-21(28)33-19(16)12-17)26(5)11-10-20(32-15(2)27)25(3,4)24(26)23(30)22(14)29/h6-9,12,18,20,22-24,29-30H,1,10-11,13H2,2-5H3/t18-,20-,22-,23+,24+,26-/m0/s1

1 reference

Assafoetidnol B (English)

14 October 2016

1 reference

Global Substance Registration System

Assafoetidnol B (English)

14 October 2016

1 reference

UNII

18842MRL1M

assafoetidnol b (English)

14 October 2016

1 reference

(2S,4aS,5R,7S,8S,8aS)-7,8-Dihydroxy-1,1,4a-trimethyl-6-methylene-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydro-2-naphthalenyl acetate (English)

14 October 2016

2 references

Assafoetidnol B (English)

14 October 2016

1 reference

NMRShiftDB structure ID

2362

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTox substance ID

DTXSID30193353

2 references

stated in

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

18842MRL1M

assafoetidnol b (English)

14 October 2016