| Properties | Image |
|---|
| MNX_ID | MNXM166030 |
 |
| reference | sabiorkM:28832 |
| formula | C41H56N4O11 |
| global charge | 0 |
| mol weight | 780.916 |
| InChIKey | OTQBFXVCPMHLRG-UOAOURFKSA-N |
| InChI | InChI=1S/C41H56N4O11/c1-20-11-10-12-21(2)40(53)43-31-26(19-42-45-16-14-44(8)15-17-45)36(50)28-29(37(31)51)35(49)25(6)38-30(28)39(52)41(7,56-38)55-18-13-27(54-9)22(3)33(47)24(5)34(48)23(4)32(20)46/h10-13,18-20,22-24,27,32-34,42,46-49,51H,14-17H2,1-9H3,(H,43,53)/b11-10+,18-13+,21-12+,26-19+/t20-,22-,23+,24-,27-,32-,33+,34+,41-/m0/s1 |
| SMILES | CO[C@H]1/C=C/O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(/N=C(O)\C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H]1C)/C(=C\NN1CCN(C)CC1)C(=O)C4=C3C2=O |
MNX internals
| InChI (mnx) | InChI=1/C41H56N4O11/c1-20-11-10-12-21(2)40(53)43-31-26(19-42-45-16-14-44(8)15-17-45)36(50)28-29(37(31)51)35(49)25(6)38-30(28)39(52)41(7,56-38)55-18-13-27(54-9)22(3)33(47)24(5)34(48)23(4)32(20)46/h10-13,18-20,22-24,27,32-34,42,46-49,51H,14-17H2,1-9H3,(H,43,53)/b11-10+,18-13+,21-12+,26-19+/t20-,22-,23+,24-,27-,32-,33+,34+,41-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:20]1/[CH:11]=[CH:10]/[CH:12]=[C:21]([CH3:2])/[C:40]([OH:53])=[N:43]\[C:31]2=[C:37]([OH:51])[C:29]3=[C:35]([OH:49])[C:25]([CH3:6])=[C:38]4[C:30](=[C:28]3[C:36](=[O:50])/[C:26]2=[CH:19]/[NH:42][N:45]2[CH2:16][CH2:14][N:44]([CH3:8])[CH2:15][CH2:17]2)[C:39](=[O:52])[C@@:41]([CH3:7])([O:55]/[CH:18]=[CH:13]/[C@H:27]([O:54][CH3:9])[C@H:22]([CH3:3])[C@@H:33]([OH:47])[C@H:24]([CH3:5])[C@H:34]([OH:48])[C@H:23]([CH3:4])[C@H:32]1[OH:46])[O:56]4 |
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