| Properties | Image |
|---|
| MNX_ID | MNXM40311 |
 |
| reference | chebi:2487 |
| formula | C42H50N2O9 |
| global charge | 0 |
| mol weight | 726.867 |
| InChIKey | UEKRHVIBSZVFQN-KYJUHHDHSA-N |
| InChI | InChI=1S/C42H50N2O9/c1-43-13-11-23-17-32(45-3)34(47-5)20-27(23)29(43)16-25-19-33(46-4)36(49-7)22-31(25)53-37-18-24-15-30-38-26(12-14-44(30)2)40(50-8)42(52-10)41(51-9)39(38)28(24)21-35(37)48-6/h17-22,29-30H,11-16H2,1-10H3/t29-,30-/m0/s1 |
| SMILES | COC1=CC2=C(C=C1OC)[C@H](CC1=CC(OC)=C(OC)C=C1OC1=CC3=C(C=C1OC)C1=C(OC)C(OC)=C(OC)C4=C1[C@H](C3)N(C)CC4)N(C)CC2 |
MNX internals
| InChI (mnx) | InChI=1/C42H50N2O9/c1-43-13-11-23-17-32(45-3)34(47-5)20-27(23)29(43)16-25-19-33(46-4)36(49-7)22-31(25)53-37-18-24-15-30-38-26(12-14-44(30)2)40(50-8)42(52-10)41(51-9)39(38)28(24)21-35(37)48-6/h17-22,29-30H,11-16H2,1-10H3/t29-,30-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][N:43]1[CH2:13][CH2:11][C:23]2=[CH:17][C:32]([O:45][CH3:3])=[C:34]([O:47][CH3:5])[CH:20]=[C:27]2[C@@H:29]1[CH2:16][C:25]1=[CH:19][C:33]([O:46][CH3:4])=[C:36]([O:49][CH3:7])[CH:22]=[C:31]1[O:53][C:37]1=[C:35]([O:48][CH3:6])[CH:21]=[C:28]2[C:24](=[CH:18]1)[CH2:15][C@H:30]1[C:38]3=[C:26]([CH2:12][CH2:14][N:44]1[CH3:2])[C:40]([O:50][CH3:8])=[C:42]([O:52][CH3:10])[C:41]([O:51][CH3:9])=[C:39]23 |
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