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(25R)-5beta-spirostan-3beta-ol

Go to external page http://purl.obolibrary.org/obo/CHEBI_28933

An oxaspiro compound that is(5beta,25R)-spirostan substituted by a beta-hydroxy group at position 3.

Term info

Label

(25R)-5beta-spirostan-3beta-ol

Synonyms
  • (25R)-5beta-Spirostan-3beta-ol
  • (25R)-5beta-spirostan-3beta-ol
  • (3beta,5beta,25R)-spirostan-3-ol
database cross reference
Subsets

3_STAR

IUPAC NAME
(3beta,5beta,25R)-spirostan-3-ol [ IUPAC ]

charge

0

formula

C27H44O3

has alternative id

CHEBI:18536, CHEBI:9174

has obo namespace

chebi_ontology

has related synonym

Smilagenin, Isosarsapogenin

id

CHEBI:28933

inchi

InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

inchikey

GMBQZIIUCVWOCD-UQHLGXRBSA-N

mass

416.63646

monoisotopicmass

416.32905

smiles

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O)C2