Feedback
(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 !!!
| Properties | Image |
| MNX_ID | MNXM1107822 |
 |
| reference | chebi:143738 |
| formula | C19H32O2 |
| global charge | 0 |
| mol weight | 292.463 |
| InChIKey | CBMYJHIOYJEBSB-GCFMDFLISA-N |
| InChI | InChI=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 |
| SMILES | CC12CC[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 |
 |
| 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
| Identifier | Description |
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
|