| Properties | Image |
|---|
| MNX_ID | MNXM1174693 |
 |
| reference | envipathM:...3e20ab14b7d4 |
| formula | C29H51O12 |
| global charge | -1 |
| mol weight | 591.715 |
| InChIKey | LECBJYWNXDVKBB-JQHSCMJSSA-M |
| InChI | InChI=1S/C29H52O12/c1-11-19(30)29(9,38)24(33)15(3)21(31)14(2)12-27(7,37)23(32)16(4)22(17(5)26(35)36)41-20-13-28(8,39-10)25(34)18(6)40-20/h14-20,22-24,30,32-33,37-38H,11-13H2,1-10H3,(H,35,36)/p-1/t14-,15+,16+,17-,18+,19-,20+,22+,23-,24-,27-,28-,29-/m1/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@H](O)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)C(=O)[C@H](C)O1)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C29H52O12/c1-11-19(30)29(9,38)24(33)15(3)21(31)14(2)12-27(7,37)23(32)16(4)22(17(5)26(35)36)41-20-13-28(8,39-10)25(34)18(6)40-20/h14-20,22-24,30,32-33,37-38H,11-13H2,1-10H3,(H,35,36)/t14-,15+,16+,17-,18+,19-,20+,22+,23-,24-,27-,28-,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:11][C@H:19]([C@:29]([CH3:9])([C@@H:24]([C@@H:15]([CH3:3])[C:21]([C@H:14]([CH3:2])[CH2:12][C@:27]([CH3:7])([C@@H:23]([C@@H:16]([CH3:4])[C@@H:22]([C@@H:17]([CH3:5])[C:26](=[O:35])[OH:36])[O:41][C@H:20]1[CH2:13][C@@:28]([CH3:8])([O:39][CH3:10])[C:25](=[O:34])[C@H:18]([CH3:6])[O:40]1)[OH:32])[OH:37])=[O:31])[OH:33])[OH:38])[OH:30] |
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