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solasodine(1+)

Go to external page http://purl.obolibrary.org/obo/CHEBI_145043

A secondary ammonium ion resulting from the protonation of the amino group of solasodine. The major species at pH 7.3.

Term info

Label

solasodine(1+)

Synonyms
  • (25R)-3beta-hydroxy-22alpha-spirosol-5-en-28-ium
database cross reference
Subsets

3_STAR

IUPAC NAME
(25R)-3beta-hydroxy-22alpha-spirosol-5-en-28-ium [ IUPAC ]

charge

+1

formula

C27H44NO2

has obo namespace

chebi_ontology

has related synonym

solasod-5-en-3beta-ol(1+), solasodine, (2S,2'R,4aR,4bS,5'R,6aS,6bR,7S,9aS,10aS,10bS)-2-hydroxy-4a,5',6a,7-tetramethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,9a,10,10a,10b,11-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidinium], solasodinium

id

CHEBI:145043

inchi

InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/p+1/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

inchikey

KWVISVAMQJWJSZ-VKROHFNGSA-O

mass

414.653

monoisotopicmass

414.33666

smiles

[C@]12([C@]3([C@@]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)(CC[C@]2(C)[C@]5([C@@H]([C@]6(O[C@]5(C1)[H])CC[C@@H](C)C[NH2+]6)C)[H])[H])[H])[H]