7alpha,12alpha-dihydroxy-5beta-cholestan-3-oneImported
A 3-oxo-5beta-steroid that is 5beta-cholestan-3-one bearing two additional hydroxy substituents at positions 7alpha and 12alpha.
Defined bychebi
Also appears ingo
Exact Synonyms
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one
7alpha,12alpha-dihydroxy-5beta-cholestan-3-one
Related Synonyms
5beta-cholestane-7alpha,12alpha-diol-3-one
5beta-Cholesten-7alpha,12alpha-diol-3-one
class Information
charge
0
formula
C27H46O3
has_dbxref
- HMDB:HMDB0006887
- KEGG:C05453
- LIPID_MAPS_instance:LMST04030113
- MetaCyc:CPD-10503
- Reaxys:3163548
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
inchikey
HHVQPBXBALLUDF-QORHGLQKSA-N
in_subset
mass
418.65234
monoisotopicmass
418.34470
smiles
[H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CCC(=O)C2