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3alpha,17alpha-dihydroxy-5beta-pregnan-20-one

PropertiesImage
MNX_IDMNXM36892 Image of MNXM36892
referencechebi:34353
formulaC21H34O3
global charge0
mol weight334.5
InChIKeyLKQDFQLSEHWIRK-UKBVDAKRSA-N
InChIInChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+,21+/m1/s1
SMILESCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+,21+/m1/s1 Image of MNXM36892
SMILES (mnx)[CH3:1][C:13]([C@@:21]1([OH:24])[CH2:11][CH2:8][C@H:18]2[C@@H:16]3[CH2:5][CH2:4][C@@H:14]4[CH2:12][C@H:15]([OH:23])[CH2:6][CH2:9][C@:19]4([CH3:2])[C@H:17]3[CH2:7][CH2:10][C@@:20]21[CH3:3])=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:34353
chebi:34353
LKQDFQLSEHWIRK-UKBVDAKRSA-N 		3alpha,17alpha-dihydroxy-5beta-pregnan-20-one
(3alpha,5beta)-3,17-dihydroxypregnan-20-one
17alpha-hydroxypregnanolone
3alpha,17-dihydroxy-5beta-pregnan-20-one
3alpha,17alpha-dihydroxy-20-oxo-5beta-pregnane
5beta-pregnan-3alpha,17alpha-diol-20-one
5beta-pregnane-3alpha,17alpha-diol-20-one

seed.compound:cpd10308
seedM:cpd10308
LKQDFQLSEHWIRK-UKBVDAKRSA-N 		17alpha-Hydroxypregnanolone
3alpha,17alpha-Dihydroxy-5beta-pregnan-20-one

kegg.compound:C14609
keggC:C14609
LKQDFQLSEHWIRK-UKBVDAKRSA-N 		3alpha,17alpha-Dihydroxy-5beta-pregnan-20-one
17alpha-Hydroxypregnanolone
hmdb:HMDB0244771
LKQDFQLSEHWIRK-UHFFFAOYSA-N 		Pregnan-20-one, 3,17-dihydroxy-, (3alpha)-
1-{5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}ethan-1-one
1-{5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}ethanone

chebi:180513
keggC:M_C14609
seedM:M_cpd10308 		secondary/obsolete/fantasy identifier