| Properties | Image |
|---|
| MNX_ID | MNXM1186380 |
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| reference | envipathM:...533d3da83aeb |
| formula | C29H41O11 |
| global charge | -1 |
| mol weight | 565.636 |
| InChIKey | WSQKCSQWLXJJHY-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H42O11/c1-27-7-5-17(39-24-14-38-26(36)25(35)21(13-31)40-24)10-16(27)3-4-19-20(27)11-22(32)28(2)18(6-8-29(19,28)37)15(12-30)9-23(33)34/h9,16-22,24,30-32,37H,3-8,10-14H2,1-2H3,(H,33,34)/p-1 |
| SMILES | CC12CCC(OC3COC(=O)C(=O)C(CO)O3)CC1CCC1C2CC(O)C2(C)C(C(=CC(=O)[O-])CO)CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C29H42O11/c1-27-7-5-17(39-24-14-38-26(36)25(35)21(13-31)40-24)10-16(27)3-4-19-20(27)11-22(32)28(2)18(6-8-29(19,28)37)15(12-30)9-23(33)34/h9,16-22,24,30-32,37H,3-8,10-14H2,1-2H3,(H,33,34)/b15-9?/t16?,17?,18?,19?,20?,21?,22?,24?,27?,28?,29? |
 |
| SMILES (mnx) | [CH3:1][C:27]12[CH2:7][CH2:5][CH:17]([O:39][CH:24]3[CH2:14][O:38][C:26](=[O:36])[C:25](=[O:35])[CH:21]([CH2:13][OH:31])[O:40]3)[CH2:10][CH:16]1[CH2:3][CH2:4][CH:19]1[CH:20]2[CH2:11][CH:22]([OH:32])[C:28]2([CH3:2])[CH:18]([C:15](=[CH:9][C:23](=[O:33])[OH:34])[CH2:12][OH:30])[CH2:6][CH2:8][C:29]12[OH:37] |
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