| Properties | Image |
MNX_ID | MNXM114868 |
 |
reference | chebi:175991 |
formula | C40H62 |
global charge | 0 |
mol weight | 542.936 |
InChIKey | OVSVTCFNLSGAMM-VMQMSJBHSA-N |
InChI | InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15-,35-21-,36-22-,37-27+,38-28+,39-29+,40-30+ |
SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C\C(C)=C/C=C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C |
MNX internals
InChI (mnx) | InChI=1/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15-,35-21-,36-22-,37-27+,38-28+,39-29+,40-30+ |
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SMILES (mnx) | [CH3:1][C:33]([CH3:2])=[CH:19][CH2:13][CH2:23]/[C:37]([CH3:7])=[CH:27]/[CH2:17][CH2:31]/[C:39]([CH3:9])=[CH:29]/[CH:15]=[CH:25]\[C:35]([CH3:5])=[CH:21]/[CH:11]=[CH:12]/[CH:22]=[C:36](/[CH3:6])[CH2:26][CH2:16]/[CH:30]=[C:40](\[CH3:10])[CH2:32][CH2:18]/[CH:28]=[C:38](\[CH3:8])[CH2:24][CH2:14][CH:20]=[C:34]([CH3:3])[CH3:4] |
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