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solasodine

Go to external page http://purl.obolibrary.org/obo/CHEBI_9190

An oxaspiro compound and steroid alkaloid sapogenin with formula C27H43NO2 found in the Solanum (nightshade) family. It is used as a precursor in the synthesis of complex steroidal compounds such as contraceptive pills.

Term info

Label

solasodine

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

3_STAR

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

charge

0

formula

C27H43NO2

has alternative id

CHEBI:95154

has obo namespace

chebi_ontology

has related synonym

purapuridine, solasod-5-en-3beta-ol, (3beta,22alpha,25R)-spirosol-5-en-3-ol, (2S,2'R,4aR,4bS,5'R,6aS,6bR,7S,9aS,10aS,10bS)-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'-piperidin]-2-ol, spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidine]

id

CHEBI:9190

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/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

inchikey

KWVISVAMQJWJSZ-VKROHFNGSA-N

mass

413.646

monoisotopicmass

413.32938

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])NC[C@H](C)CC6)C)[H])[H])[H])[H]