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(3R,5R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol

MNXM722768 is deprecated and here replaced by MNXM1107822
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107822 Image of MNXM1107822
referencechebi:143738
formulaC19H32O2
global charge0
mol weight292.463
InChIKeyCBMYJHIOYJEBSB-GCFMDFLISA-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?/m1/s1
SMILESCC12CC[C@@H](O)C[C@H]1CCC1C2CCC2(C)C1CC[C@@H]2O
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?/m1/s1 Image of MNXM1107822
SMILES (mnx)[CH3:1][C:18]12[CH2:9][CH2:7][C@@H:13]([OH:20])[CH2:11][C@H:12]1[CH2:3][CH2:4][CH:14]1[CH:15]3[CH2:5][CH2:6][C@H:17]([OH:21])[C:19]3([CH3:2])[CH2:10][CH2:8][CH:16]12
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:143738
chebi:143738
CBMYJHIOYJEBSB-GCFMDFLISA-N
(3R,5R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
hmdb:HMDB0060437
CBMYJHIOYJEBSB-RLSXWVIDSA-N
Androstan-3alpha,17beta-diol
(5R,14S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-diol
5a-Androstan-3a,17b-diol
5alpha-Androstan-3alpha,17beta-diol
5alpha-androstan-3alpha,17beta-diol
Androstan-3a,17b-diol
Cyclophosphamide-mustard
Cyp-mustard

hmdb:HMDB60437
secondary/obsolete/fantasy identifier