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Palbinone

PropertiesImage
MNX_IDMNXM107533 Image of MNXM107533
referencechebi:69584
formulaC22H30O4
global charge0
mol weight358.478
InChIKeyKIAKLFLISZCITK-PPAUHQMUSA-N
InChIInChI=1S/C22H30O4/c1-19(2)13-8-11-21(4)14(20(13,3)10-9-15(19)23)7-6-12-16(24)17(25)18(26)22(12,21)5/h6-7,13-15,23-24H,8-11H2,1-5H3/t13-,14+,15-,20-,21+,22-/m0/s1
SMILESCC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C=CC4=C(O)C(=O)C(=O)[C@@]4(C)[C@]3(C)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C22H30O4/c1-19(2)13-8-11-21(4)14(20(13,3)10-9-15(19)23)7-6-12-16(24)17(25)18(26)22(12,21)5/h6-7,13-15,23-24H,8-11H2,1-5H3/t13-,14+,15-,20-,21+,22-/m0/s1 Image of MNXM107533
SMILES (mnx)[CH3:1][C:19]1([CH3:2])[C@@H:13]2[CH2:8][CH2:11][C@:21]3([CH3:4])[C@H:14]([CH:7]=[CH:6][C:12]4=[C:16]([OH:24])[C:17](=[O:25])[C:18](=[O:26])[C@:22]43[CH3:5])[C@@:20]2([CH3:3])[CH2:10][CH2:9][C@@H:15]1[OH:23]
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:69584
chebi:69584
KIAKLFLISZCITK-PPAUHQMUSA-N 		Palbinone
18-Norandrosta-11,13(17)-diene-15,16-dione, 3,17-dihydroxy-4,4,8,14-tetramethyl-, (3beta,5alpha)-