| Properties | Image |
|---|
| MNX_ID | MNXM155323 |
 |
| reference | keggD:D08000 |
| formula | C35H59NO8 |
| global charge | 0 |
| mol weight | 621.856 |
| InChIKey | OQZZCXRLEFBPLZ-JCJNLNMISA-N |
| InChI | InChI=1S/C31H48O6.C4H11NO2/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32;6-3-1-5-2-4-7/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36);5-7H,1-4H2/b26-20-;/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-;/m0./s1 |
| SMILES | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O.OCCNCCO |
MNX internals
| InChI (mnx) | InChI=1/C31H48O6.C4H11NO2/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32;6-3-1-5-2-4-7/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36);5-7H,1-4H2/b26-20-;/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-;/m0./s1 |
 |
| SMILES (mnx) | [CH2:38]([CH2:40][OH:43])[NH:42][CH2:39][CH2:41][OH:44].[CH3:1][C:17]([CH3:2])=[CH:9][CH2:8][CH2:10]/[C:20](=[C:26]1\[C@@H:22]2[CH2:15][C@@H:24]([OH:34])[C@H:27]3[C@@:29]4([CH3:5])[CH2:13][CH2:12][C@@H:23]([OH:33])[C@@H:18]([CH3:3])[C@@H:21]4[CH2:11][CH2:14][C@:30]3([CH3:6])[C@@:31]2([CH3:7])[CH2:16][C@@H:25]1[O:37][C:19]([CH3:4])=[O:32])[C:28](=[O:35])[OH:36] |
|