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androstane-3,17-diol

PropertiesImage
MNX_IDMNXM1107883 Image of MNXM1107883
referencechebi:27727
formulaC19H32O2
global charge0
mol weight292.463
InChIKeyCBMYJHIOYJEBSB-CAHXEBCQSA-N
InChIInChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13?,14-,15-,16-,17?,18-,19-/m0/s1
SMILESC[C@]12CCC(O)CC1CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13?,14-,15-,16-,17?,18-,19-/m0/s1 Image of MNXM1107883
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:7][CH:13]([OH:20])[CH2:11][CH:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][CH:17]([OH:21])[C@@:19]3([CH3:2])[CH2:10][CH2:8][C@@H:16]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:27727
chebi:27727
CBMYJHIOYJEBSB-CAHXEBCQSA-N
androstane-3,17-diol
Androstane-3,17-diol
Androstanediol

sabiork.compound:28336
sabiorkM:28336
CBMYJHIOYJEBSB-CAHXEBCQSA-N
5beta-Androstane-3alpha,17alpha-diol

sabiork.compound:9736
sabiorkM:9736
CBMYJHIOYJEBSB-CAHXEBCQSA-N
Androstanediol
Androstane-3,17-diol

chebi:22544
chebi:2713
secondary/obsolete/fantasy identifier