| Properties | Image |
|---|
| MNX_ID | MNXM1139270 |
 |
| reference | envipathM:...99752ea6e281 |
| formula | C29H45O12 |
| global charge | -1 |
| mol weight | 585.667 |
| InChIKey | ZLQDFESKRBNNND-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H46O12/c1-14-24(36)19(32)11-23(40-14)41-16-4-5-25(2)17(9-16)18(31)10-20-28(38)7-6-27(37,15(13-30)8-22(34)35)26(28,3)21(33)12-29(20,25)39/h8,14,16-21,23-24,30-33,36-39H,4-7,9-13H2,1-3H3,(H,34,35)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3(O)CC(O)C3(C)C(O)(C(=CC(=O)[O-])CO)CCC23O)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C29H46O12/c1-14-24(36)19(32)11-23(40-14)41-16-4-5-25(2)17(9-16)18(31)10-20-28(38)7-6-27(37,15(13-30)8-22(34)35)26(28,3)21(33)12-29(20,25)39/h8,14,16-21,23-24,30-33,36-39H,4-7,9-13H2,1-3H3,(H,34,35)/b15-8?/t14?,16?,17?,18?,19?,20?,21?,23?,24?,25?,26?,27?,28?,29? |
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| SMILES (mnx) | [CH3:1][CH:14]1[CH:24]([OH:36])[CH:19]([OH:32])[CH2:11][CH:23]([O:41][CH:16]2[CH2:4][CH2:5][C:25]3([CH3:2])[CH:17]([CH2:9]2)[CH:18]([OH:31])[CH2:10][CH:20]2[C:28]4([OH:38])[CH2:7][CH2:6][C:27]([C:15](=[CH:8][C:22](=[O:34])[OH:35])[CH2:13][OH:30])([OH:37])[C:26]4([CH3:3])[CH:21]([OH:33])[CH2:12][C:29]23[OH:39])[O:40]1 |
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