| Properties | Image |
|---|
| MNX_ID | MNXM683059 |
 |
| reference | metacycM:CPD-19047 |
| formula | C34H60O14 |
| global charge | 0 |
| mol weight | 692.84 |
| InChIKey | HZYKVDFNYAKASX-XBKHNYQHSA-N |
| InChI | InChI=1S/C34H60O14/c1-6-7-8-9-10-11-12-13-14-15-25(38)44-31-29(42)33(43-24(19-36)30(31)45-26(39)16-21(2)3)48-34(20-37)32(28(41)23(18-35)47-34)46-27(40)17-22(4)5/h21-24,28-33,35-37,41-42H,6-20H2,1-5H3/t23-,24-,28-,29-,30-,31-,32+,33-,34+/m1/s1 |
| SMILES | CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](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/C34H60O14/c1-6-7-8-9-10-11-12-13-14-15-25(38)44-31-29(42)33(43-24(19-36)30(31)45-26(39)16-21(2)3)48-34(20-37)32(28(41)23(18-35)47-34)46-27(40)17-22(4)5/h21-24,28-33,35-37,41-42H,6-20H2,1-5H3/t23-,24-,28-,29-,30-,31-,32+,33-,34+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:25](=[O:38])[O:44][C@@H:31]1[C@@H:29]([OH:42])[C@@H:33]([O:48][C@@:34]2([CH2:20][OH:37])[C@@H:32]([O:46][C:27]([CH2:17][CH:22]([CH3:4])[CH3:5])=[O:40])[C@H:28]([OH:41])[C@@H:23]([CH2:18][OH:35])[O:47]2)[O:43][C@H:24]([CH2:19][OH:36])[C@H:30]1[O:45][C:26]([CH2:16][CH:21]([CH3:2])[CH3:3])=[O:39] |
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