| Properties | Image |
|---|
| MNX_ID | MNXM1584909 |
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| reference | vmhM:CE5753
vmhM:CE5753 |
| formula | C42H58NO |
| global charge | 1 |
| mol weight | 592.932 |
| InChIKey | WPWFMRDPTDEJJA-CNMGTVEPSA-N |
| InChI | InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10?,19-11-,22-20?,23-21+,32-14?,33-15+,34-30? |
| SMILES | CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=Cc1cc(/C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)cc[n+]1CCO |
MNX internals
| InChI (mnx) | InChI=1/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10?,19-11-,22-20?,23-21+,32-14?,33-15+,34-30? |
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| SMILES (mnx) | [CH3:1][C:32](=[CH:14][CH:10]=[CH:16][C:34]([CH3:3])=[CH:30][c:38]1[cH:31][c:37](/[CH:19]=[CH:11]\[CH:15]=[C:33]([CH3:2])\[CH:21]=[CH:23]\[C:40]2=[C:36]([CH3:5])[CH2:18][CH2:13][CH2:26][C:42]2([CH3:8])[CH3:9])[cH:24][cH:27][n+:43]1[CH2:28][CH2:29][OH:44])[CH:20]=[CH:22][C:39]1=[C:35]([CH3:4])[CH2:17][CH2:12][CH2:25][C:41]1([CH3:6])[CH3:7] |
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