| Properties | Image |
|---|
| MNX_ID | MNXM108369 |
 |
| reference | chebi:66795 |
| formula | C33H41NO10 |
| global charge | 0 |
| mol weight | 611.688 |
| InChIKey | YOWCHQXYSYCIRL-TUMCFGMQSA-N |
| InChI | InChI=1S/C33H41NO10/c1-7-25(36)42-23-11-12-31(4)22(32(23,5)17-40-18(3)35)15-24(43-26(37)8-2)33(6)29(31)28(38)27-21(44-33)14-20(41-30(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)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)CC)[C@@]3(C)OC4=C(C(=O)OC(C5=CC=CN=C5)=C4)[C@H](O)[C@H]23)[C@]1(C)COC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C33H41NO10/c1-7-25(36)42-23-11-12-31(4)22(32(23,5)17-40-18(3)35)15-24(43-26(37)8-2)33(6)29(31)28(38)27-21(44-33)14-20(41-30(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:42][C@H:23]1[CH2:11][CH2:12][C@@:31]2([CH3:4])[C@@H:22]([CH2:15][C@H:24]([O:43][C:26]([CH2:8][CH3:2])=[O:37])[C@:33]3([CH3:6])[C@@H:29]2[C@@H:28]([OH:38])[C:27]2=[C:21]([CH:14]=[C:20]([C:19]4=[CH:16][N:34]=[CH:13][CH:9]=[CH:10]4)[O:41][C:30]2=[O:39])[O:44]3)[C@:32]1([CH3:5])[CH2:17][O:40][C:18]([CH3:3])=[O:35] |
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