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compound 0057229

PropertiesImage
MNX_IDMNXM1172146 Image of MNXM1172146
referenceenvipathM:...5891fcf128a3
formulaC24H33NO2
global charge0
mol weight367.533
InChIKeyPINKRXOMNSPOQD-JAEXPYDJSA-N
InChIInChI=1S/C24H33NO2/c1-23-10-8-20-17(13-22(27)21-12-16(26)7-9-24(20,21)2)19(23)6-5-18(23)15-4-3-11-25-14-15/h3-5,11,14,16-17,19-22,26-27H,6-10,12-13H2,1-2H3/t16-,17-,19-,20+,21?,22?,23+,24-/m0/s1
SMILESC[C@]12CC[C@@H]3[C@@H](CC(O)C4C[C@@H](O)CC[C@]43C)[C@@H]1CC=C2C1=CN=CC=C1
MNX internals
InChI (mnx)InChI=1/C24H33NO2/c1-23-10-8-20-17(13-22(27)21-12-16(26)7-9-24(20,21)2)19(23)6-5-18(23)15-4-3-11-25-14-15/h3-5,11,14,16-17,19-22,26-27H,6-10,12-13H2,1-2H3/t16-,17-,19-,20+,21?,22?,23+,24-/m0/s1 Image of MNXM1172146
SMILES (mnx)[CH3:1][C@:23]12[CH2:10][CH2:8][C@@H:20]3[C@@H:17]([CH2:13][CH:22]([OH:27])[CH:21]4[CH2:12][C@@H:16]([OH:26])[CH2:7][CH2:9][C@@:24]34[CH3:2])[C@@H:19]1[CH2:6][CH:5]=[C:18]2[C:15]1=[CH:14][N:25]=[CH:11][CH:3]=[CH:4]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

envipath:...5891fcf128a3
envipathM:...5891fcf128a3
PINKRXOMNSPOQD-JAEXPYDJSA-N
compound 0057229