| Properties | Image |
MNX_ID | MNXM5915 |
 |
reference | chebi:80414 |
formula | C41H58O2 |
global charge | 0 |
mol weight | 582.913 |
InChIKey | KAWQESUNKWSPBA-NMWBISKFSA-N |
InChI | InChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-27-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-28-38(7)29-18-30-39(8)40(42)31-32-41(9,10)43-11/h12-13,15-21,23-30H,14,22,31-32H2,1-11H3/b13-12+,23-15+,24-16+,27-17+,29-18+,34-20+,35-21+,36-25+,37-26+,38-28+,39-30+ |
SMILES | COC(C)(C)CCC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C |
MNX internals
InChI (mnx) | InChI=1/C41H58O2/c1-33(2)19-14-22-36(5)25-17-27-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-28-38(7)29-18-30-39(8)40(42)31-32-41(9,10)43-11/h12-13,15-21,23-30H,14,22,31-32H2,1-11H3/b13-12+,23-15+,24-16+,27-17+,29-18+,34-20+,35-21+,36-25+,37-26+,38-28+,39-30+ |
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SMILES (mnx) | [CH3:1][C:33]([CH3:2])=[CH:19][CH2:14][CH2:22]/[C:36]([CH3:5])=[CH:25]/[CH:17]=[CH:27]/[C:37]([CH3:6])=[CH:26]/[CH:15]=[CH:23]/[C:34]([CH3:3])=[CH:20]/[CH:12]=[CH:13]/[CH:21]=[C:35]([CH3:4])/[CH:24]=[CH:16]/[CH:28]=[C:38]([CH3:7])/[CH:29]=[CH:18]/[CH:30]=[C:39](\[CH3:8])[C:40]([CH2:31][CH2:32][C:41]([CH3:9])([CH3:10])[O:43][CH3:11])=[O:42] |
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