| Properties | Image |
|---|
| MNX_ID | MNXM683054 |
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| reference | metacycM:CPD-19026 |
| formula | C27H48O13 |
| global charge | 0 |
| mol weight | 580.668 |
| InChIKey | YCACPQDCMKYMTN-QUXAAEGESA-N |
| InChI | InChI=1S/C27H48O13/c1-4-5-6-7-8-9-10-11-19(31)37-24-22(34)26(36-18(14-29)23(24)38-20(32)12-16(2)3)40-27(15-30)25(35)21(33)17(13-28)39-27/h16-18,21-26,28-30,33-35H,4-15H2,1-3H3/t17-,18-,21-,22-,23-,24-,25+,26-,27+/m1/s1 |
| SMILES | CCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1OC(=O)CC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C27H48O13/c1-4-5-6-7-8-9-10-11-19(31)37-24-22(34)26(36-18(14-29)23(24)38-20(32)12-16(2)3)40-27(15-30)25(35)21(33)17(13-28)39-27/h16-18,21-26,28-30,33-35H,4-15H2,1-3H3/t17-,18-,21-,22-,23-,24-,25+,26-,27+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:19](=[O:31])[O:37][C@@H:24]1[C@@H:22]([OH:34])[C@@H:26]([O:40][C@@:27]2([CH2:15][OH:30])[C@@H:25]([OH:35])[C@H:21]([OH:33])[C@@H:17]([CH2:13][OH:28])[O:39]2)[O:36][C@H:18]([CH2:14][OH:29])[C@H:23]1[O:38][C:20]([CH2:12][CH:16]([CH3:2])[CH3:3])=[O:32] |
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