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5alpha-Pregnan-20alpha-ol-3-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM164167

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

formula

C₂₁H₃₄O₂

charge

mass

318.25588

reference

chebi:81469

InChIKey

DYVGYXXLXQESJE-SKLBOBKVSA-N

InChI

InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14-,16-,17+,18-,19-,20-,21+/m0/s1

SMILES

C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:81469 chebi:81469 kegg.compound:C18041 keggC:C18041	5alpha-Pregnan-20alpha-ol-3-one Allopregnan-20alpha-ol-3-one
sabiork.compound:27261 sabiorkM:27261	20alpha-Hydroxy-5alpha-pregnan-3-one 5alpha-Pregnan-20alpha-ol-3-one
hmdb:HMDB0060408	5alpha-Pregnan-20alpha-ol-3-one (1S,2S,7S,10R,11S,14S,15S)-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one 20 alpha-Hydroxy-5 alpha-pregnan-3-one 20 beta-Hydroxy-5 alpha-pregnan-3-one 20-AHAPO 5a-Pregnan-20a-ol-3-one 5alpha-pregnan-20alpha-ol-3-one Allopregnan-20 alpha-ol-3-one Allopregnan-20 alpha-ol-3-one, (20S)-isomer Allopregnan-20 alpha-ol-3-one, (5alpha)-isomer Allopregnan-20 alpha-ol-3-one, (5alpha,20R)-isomer Allopregnan-20 alpha-ol-3-one, (5beta,17alpha,20S)-isomer Allopregnan-20 alpha-ol-3-one, (5beta,20R)-isomer Allopregnan-20 alpha-ol-3-one, (5beta,20S)-isomer Allopregnan-20 beta-ol-3-one Allopregnan-20a-ol-3-one Allopregnan-20alpha-ol-3-one
seed.compound:cpd18024 seedM:cpd18024	Allopregnan-20alpha-ol-3-one 5alpha-Pregnan-20alpha-ol-3-one
hmdb:HMDB60408 keggC:M_C18041 seedM:M_cpd18024	secondary/obsolete/fantasy identifier