| Properties | Image |
|---|
| MNX_ID | MNXM108371 |
 |
| reference | chebi:66797 |
| formula | C33H41NO10 |
| global charge | 0 |
| mol weight | 611.688 |
| InChIKey | BQISMINXKJLJAU-TUMCFGMQSA-N |
| InChI | InChI=1S/C33H41NO10/c1-7-25(36)40-17-32(5)22-15-24(43-26(37)8-2)33(6)29(31(22,4)12-11-23(32)41-18(3)35)28(38)27-21(44-33)14-20(42-30(27)39)19-10-9-13-34-16-19/h9-10,13-14,16,22-24,28-29,38H,7-8,11-12,15,17H2,1-6H3/t22-,23+,24+,28+,29-,31+,32+,33-/m1/s1 |
| SMILES | CCC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(=O)CC)[C@@]3(C)OC4=C(C(=O)OC(C5=CC=CN=C5)=C4)[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C33H41NO10/c1-7-25(36)40-17-32(5)22-15-24(43-26(37)8-2)33(6)29(31(22,4)12-11-23(32)41-18(3)35)28(38)27-21(44-33)14-20(42-30(27)39)19-10-9-13-34-16-19/h9-10,13-14,16,22-24,28-29,38H,7-8,11-12,15,17H2,1-6H3/t22-,23+,24+,28+,29-,31+,32+,33-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][C:25](=[O:36])[O:40][CH2:17][C@@:32]1([CH3:5])[C@@H:22]2[CH2:15][C@H:24]([O:43][C:26]([CH2:8][CH3:2])=[O:37])[C@:33]3([CH3:6])[C@H:29]([C@@H:28]([OH:38])[C:27]4=[C:21]([CH:14]=[C:20]([C:19]5=[CH:16][N:34]=[CH:13][CH:9]=[CH:10]5)[O:42][C:30]4=[O:39])[O:44]3)[C@@:31]2([CH3:4])[CH2:12][CH2:11][C@@H:23]1[O:41][C:18]([CH3:3])=[O:35] |
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