(Q27125807)

(7S)-salutaridinol (English)

6 October 2016

chemical formula

C₁₉H₂₄NO₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[NH+]1CCC23C=C(C(C=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC

1 reference

(7S)-salutaridinol (English)

6 October 2016

isomeric SMILES

C[NH+]1CC[C@]23C=C([C@H](C=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)O)OC

1 reference

(7S)-salutaridinol (English)

InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13-14,21-22H,6-8H2,1-3H3/p+1/t13-,14+,19+/m1/s1

6 October 2016

Identifiers

InChI

1 reference

(7S)-salutaridinol (English)

LLSADFZHWMEBHH-TYILLQQXSA-O

6 October 2016

InChIKey

2 references

(7S)-salutaridinol (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(7alpha,17S)-4,7-Dihydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-17-ium (English)

6 October 2016

1 reference

(7S)-salutaridinol (English)

6 October 2016

ChEBI ID

58463

mapping relation type

1 reference