| Properties | Image |
|---|
| MNX_ID | MNXM683045 |
 |
| reference | metacycM:CPD-19057 |
| formula | C34H58O15 |
| global charge | 0 |
| mol weight | 706.823 |
| InChIKey | ASEZOCWGVPXCSF-WQQZHNEZSA-N |
| InChI | InChI=1S/C34H58O15/c1-7-8-9-10-11-12-13-14-25(39)45-30-29(46-26(40)15-20(2)3)24(18-36)44-33(31(30)43-22(6)38)49-34(19-37)32(28(42)23(17-35)48-34)47-27(41)16-21(4)5/h20-21,23-24,28-33,35-37,42H,7-19H2,1-6H3/t23-,24-,28-,29-,30+,31-,32+,33-,34+/m1/s1 |
| SMILES | CCCCCCCCCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CC(C)C)O[C@H](CO)[C@H]1OC(=O)CC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C34H58O15/c1-7-8-9-10-11-12-13-14-25(39)45-30-29(46-26(40)15-20(2)3)24(18-36)44-33(31(30)43-22(6)38)49-34(19-37)32(28(42)23(17-35)48-34)47-27(41)16-21(4)5/h20-21,23-24,28-33,35-37,42H,7-19H2,1-6H3/t23-,24-,28-,29-,30+,31-,32+,33-,34+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:25](=[O:39])[O:45][C@H:30]1[C@H:29]([O:46][C:26]([CH2:15][CH:20]([CH3:2])[CH3:3])=[O:40])[C@@H:24]([CH2:18][OH:36])[O:44][C@H:33]([O:49][C@@:34]2([CH2:19][OH:37])[C@@H:32]([O:47][C:27]([CH2:16][CH:21]([CH3:4])[CH3:5])=[O:41])[C@H:28]([OH:42])[C@@H:23]([CH2:17][OH:35])[O:48]2)[C@@H:31]1[O:43][C:22]([CH3:6])=[O:38] |
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