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tibolone

MNXM732656 is deprecated and replaced by MNXM732655
PropertiesImage
MNX_IDMNXM732655 Image of MNXM732655
referencechebi:32223
formulaC21H28O2
global charge0
mol weight312.453
InChIKeyWZDGZWOAQTVYBX-XOINTXKNSA-N
InChIInChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1
SMILESC#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1 Image of MNXM732655
SMILES (mnx)[CH:1]#[C:4][C@:21]1([OH:23])[CH2:10][CH2:8][C@H:18]2[C@@H:19]3[C@H:13]([CH3:2])[CH2:11][C:14]4=[C:16]([CH2:6][CH2:5][C:15](=[O:22])[CH2:12]4)[C@H:17]3[CH2:7][CH2:9][C@@:20]21[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:32223
chebi:32223
WZDGZWOAQTVYBX-XOINTXKNSA-N 		tibolone
(17R)-17-hydroxy-7alpha-methyl-19-norpregn-5(10)-en-20-yn-3-one
(7alpha,17alpha)-17-hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one
(7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-5(10)en-3-one
17-hydroxy-7alpha-methyl-19-nor-17alpha-pregn-5(10)-en-20-yn-3-one
17alpha-ethynyl-17beta-hydroxy-7alpha-methylestr-5(10)-en-3-one
tibolona
tibolonum

sabiork.compound:15126
sabiorkM:15126
WZDGZWOAQTVYBX-XOINTXKNSA-N 		Tibolone

kegg.drug:D01639
keggD:D01639
WZDGZWOAQTVYBX-XOINTXKNSA-N 		Tibolone (JAN/USAN/INN)

keggD:M_D01639 		secondary/obsolete/fantasy identifier