| Properties | Image |
|---|
| MNX_ID | MNXM102247 |
 |
| reference | chebi:69755 |
| formula | C43H49NO18 |
| global charge | 0 |
| mol weight | 867.854 |
| InChIKey | VRFBNEKYXLBEOW-GBYOOIFQSA-N |
| InChI | InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(57-24(4)47)34(61-37(21)50)41(8,53)43(42,62-40)33(30)60-38(51)27-13-10-9-11-14-27/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33?,34-,35+,36-,40-,41-,42-,43-/m0/s1 |
| SMILES | CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3C(OC(=O)C4=CC=CC=C4)[C@@]14O[C@@]3(C)COC(=O)C1=C(CC[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O)N=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(57-24(4)47)34(61-37(21)50)41(8,53)43(42,62-40)33(30)60-38(51)27-13-10-9-11-14-27/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33?,34-,35+,36-,40-,41-,42-,43-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:21]1[CH2:16][CH2:17][C:29]2=[C:28]([CH:15]=[CH:12][CH:18]=[N:44]2)[C:39](=[O:52])[O:55][CH2:19][C@@:40]2([CH3:7])[C@@H:30]3[C@@H:31]([O:56][C:23]([CH3:3])=[O:46])[C@@H:35]([O:58][C:25]([CH3:5])=[O:48])[C@@:42]4([CH2:20][O:54][C:22]([CH3:2])=[O:45])[C@@H:36]([O:59][C:26]([CH3:6])=[O:49])[C@@H:32]([O:57][C:24]([CH3:4])=[O:47])[C@@H:34]([C@:41]([CH3:8])([OH:53])[C@:43]4([CH:33]3[O:60][C:38]([C:27]3=[CH:13][CH:10]=[CH:9][CH:11]=[CH:14]3)=[O:51])[O:62]2)[O:61][C:37]1=[O:50] |
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