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Alpha-Amyrone

PropertiesImage
MNX_IDMNXM118977 Image of MNXM118977
referencechebi:192171
formulaC30H48O
global charge0
mol weight424.713
InChIKeyDIFWJJFSELKWGA-UHFFFAOYSA-N
InChIInChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-23,25H,10-18H2,1-8H3
SMILESCC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1C
MNX internals
InChI (mnx)InChI=1/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-23,25H,10-18H2,1-8H3/t19?,20?,22?,23?,25?,27?,28?,29?,30? Image of MNXM118977
SMILES (mnx)[CH3:1][CH:19]1[CH2:11][CH2:14][C:27]2([CH3:5])[CH2:17][CH2:18][C:29]3([CH3:7])[C:21](=[CH:9][CH2:10][CH:23]4[C:28]5([CH3:6])[CH2:15][CH2:13][C:24](=[O:31])[C:26]([CH3:3])([CH3:4])[CH:22]5[CH2:12][CH2:16][C:30]43[CH3:8])[CH:25]2[CH:20]1[CH3:2]
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:192171
chebi:192171
DIFWJJFSELKWGA-UHFFFAOYSA-N 		Alpha-Amyrone
4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one
Urs-12-en-3-one
hmdb:HMDB0036659
DIFWJJFSELKWGA-UHFFFAOYSA-N 		alpha-Amyrone
12-Ursen-3-one
4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-one
4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one
Urs-12-en-3-one
a-Amyrenone
a-Amyrone
alpha-Amirenone
alpha-Amyrenone
alpha-amyrone

hmdb:HMDB36659 		secondary/obsolete/fantasy identifier