| Properties | Image |
|---|
| MNX_ID | MNXM1170900 |
 |
| reference | envipathM:...1d44922a0863 |
| formula | C26H43O8 |
| global charge | -1 |
| mol weight | 483.622 |
| InChIKey | QZEXJYOHWRDIEQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H44O8/c1-5-14-21(30)20-15-6-7-18(24(3,33)12-17(28)22(31)32)25(15,4)19(29)10-16(20)23(2)9-8-13(27)11-26(14,23)34/h13-21,27-30,33-34H,5-12H2,1-4H3,(H,31,32)/p-1 |
| SMILES | CCC1C(O)C2C3CCC(C(C)(O)CC(O)C(=O)[O-])C3(C)C(O)CC2C2(C)CCC(O)CC12O |
MNX internals
| InChI (mnx) | InChI=1/C26H44O8/c1-5-14-21(30)20-15-6-7-18(24(3,33)12-17(28)22(31)32)25(15,4)19(29)10-16(20)23(2)9-8-13(27)11-26(14,23)34/h13-21,27-30,33-34H,5-12H2,1-4H3,(H,31,32)/t13?,14?,15?,16?,17?,18?,19?,20?,21?,23?,24?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:14]1[CH:21]([OH:30])[CH:20]2[CH:15]3[CH2:6][CH2:7][CH:18]([C:24]([CH3:3])([CH2:12][CH:17]([C:22](=[O:31])[OH:32])[OH:28])[OH:33])[C:25]3([CH3:4])[CH:19]([OH:29])[CH2:10][CH:16]2[C:23]2([CH3:2])[CH2:9][CH2:8][CH:13]([OH:27])[CH2:11][C:26]12[OH:34] |
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