| Properties | Image |
|---|
| MNX_ID | MNXM102434 |
 |
| reference | chebi:69881 |
| formula | C29H42O10 |
| global charge | 0 |
| mol weight | 550.645 |
| InChIKey | BRIXIZXUQQCUIP-PVHCJARNSA-N |
| InChI | InChI=1S/C29H42O10/c1-7-16(2)26(34)39-22-8-9-28(14-37-28)29(15-36-18(4)30)23(38-19(5)31)10-17(3)27(6,25(22)29)12-21(32)20-11-24(33)35-13-20/h11,16-17,21-23,25,32H,7-10,12-15H2,1-6H3/t16-,17+,21-,22+,23-,25+,27-,28-,29+/m0/s1 |
| SMILES | CC[C@H](C)C(=O)O[C@@H]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](O)C3=CC(=O)OC3)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C29H42O10/c1-7-16(2)26(34)39-22-8-9-28(14-37-28)29(15-36-18(4)30)23(38-19(5)31)10-17(3)27(6,25(22)29)12-21(32)20-11-24(33)35-13-20/h11,16-17,21-23,25,32H,7-10,12-15H2,1-6H3/t16-,17+,21-,22+,23-,25+,27-,28-,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][C@H:16]([CH3:2])[C:26](=[O:34])[O:39][C@@H:22]1[CH2:8][CH2:9][C@:28]2([CH2:14][O:37]2)[C@:29]2([CH2:15][O:36][C:18]([CH3:4])=[O:30])[C@@H:23]([O:38][C:19]([CH3:5])=[O:31])[CH2:10][C@@H:17]([CH3:3])[C@:27]([CH3:6])([CH2:12][C@@H:21]([C:20]3=[CH:11][C:24](=[O:33])[O:35][CH2:13]3)[OH:32])[C@@H:25]12 |
|