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28-Hydroxy-14-taraxeren-3-one

PropertiesImage
MNX_IDMNXM117109 Image of MNXM117109
referencechebi:191848
formulaC30H48O2
global charge0
mol weight440.712
InChIKeyYZWJBLKYECYVAO-UHFFFAOYSA-N
InChIInChI=1S/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23,31H,8-9,11-19H2,1-7H3
SMILESCC1(C)CCC2(CO)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(=O)CCC34C)C2C1
MNX internals
InChI (mnx)InChI=1/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23,31H,8-9,11-19H2,1-7H3/t20?,21?,23?,27?,28?,29?,30? Image of MNXM117109
SMILES (mnx)[CH3:1][C:25]1([CH3:2])[CH2:16][CH2:17][C:30]2([CH2:19][OH:31])[CH2:15][CH:10]=[C:22]3[C:28]4([CH3:6])[CH2:12][CH2:8][CH:20]5[C:26]([CH3:3])([CH3:4])[C:24](=[O:32])[CH2:11][CH2:14][C:27]5([CH3:5])[CH:21]4[CH2:9][CH2:13][C:29]3([CH3:7])[CH:23]2[CH2:18]1
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:191848
chebi:191848
YZWJBLKYECYVAO-UHFFFAOYSA-N 		28-Hydroxy-14-taraxeren-3-one
8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
hmdb:HMDB0037033
YZWJBLKYECYVAO-UHFFFAOYSA-N 		28-Hydroxy-14-taraxeren-3-one
8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-one
8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
Miricolone

hmdb:HMDB37033 		secondary/obsolete/fantasy identifier