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9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate

PropertiesImage
MNX_IDMNXM118705 Image of MNXM118705
referencechebi:174990
formulaC22H32O5
global charge0
mol weight376.493
InChIKeyZYTJBCOGBFUTOP-WQLSENKSSA-N
InChIInChI=1S/C22H32O5/c1-8-12(4)22(25)27-19-10-16(11(2)3)21-17(13(19)5)9-18(24)20(21)14(6)26-15(7)23/h8,11,14,16-17,19-21H,5,9-10H2,1-4,6-7H3/b12-8-
SMILESC=C1C(OC(=O)/C(C)=C\C)CC(C(C)C)C2C1CC(=O)C2C(C)OC(C)=O
MNX internals
InChI (mnx)InChI=1/C22H32O5/c1-8-12(4)22(25)27-19-10-16(11(2)3)21-17(13(19)5)9-18(24)20(21)14(6)26-15(7)23/h8,11,14,16-17,19-21H,5,9-10H2,1-4,6-7H3/b12-8-/t14?,16?,17?,19?,20?,21? Image of MNXM118705
SMILES (mnx)[CH3:1]/[CH:8]=[C:12](/[CH3:4])[C:22](=[O:25])[O:27][CH:19]1[CH2:10][CH:16]([CH:11]([CH3:2])[CH3:3])[CH:21]2[CH:17]([CH2:9][C:18](=[O:24])[CH:20]2[CH:14]([CH3:6])[O:26][C:15]([CH3:7])=[O:23])[C:13]1=[CH2:5]
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:174990
chebi:174990
ZYTJBCOGBFUTOP-WQLSENKSSA-N 		9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
[1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (Z)-2-methylbut-2-enoate
hmdb:HMDB0040955
ZYTJBCOGBFUTOP-WQLSENKSSA-N 		9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
1-[1-(Acetyloxy)ethyl]-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl (2Z)-2-methylbut-2-enoic acid
1-[1-(acetyloxy)ethyl]-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl (2Z)-2-methylbut-2-enoate
1-[1-(acetyloxy)ethyl]-7-isopropyl-4-methylidene-2-oxo-hexahydro-1H-inden-5-yl (2Z)-2-methylbut-2-enoate
9a-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
9a-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetic acid
9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetic acid
9alpha-(angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
9alpha-(angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetic acid

hmdb:HMDB40955 		secondary/obsolete/fantasy identifier