| Properties | Image |
|---|
| MNX_ID | MNXM683058 |
 |
| reference | metacycM:CPD-19027 |
| formula | C29H52O13 |
| global charge | 0 |
| mol weight | 608.722 |
| InChIKey | ANYHHKFSRBHUQP-KDRVCDMJSA-N |
| InChI | InChI=1S/C29H52O13/c1-4-5-6-7-8-9-10-11-12-13-21(33)39-26-24(36)28(38-20(16-31)25(26)40-22(34)14-18(2)3)42-29(17-32)27(37)23(35)19(15-30)41-29/h18-20,23-28,30-32,35-37H,4-17H2,1-3H3/t19-,20-,23-,24-,25-,26-,27+,28-,29+/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]2O)O[C@H](CO)[C@H]1OC(=O)CC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C29H52O13/c1-4-5-6-7-8-9-10-11-12-13-21(33)39-26-24(36)28(38-20(16-31)25(26)40-22(34)14-18(2)3)42-29(17-32)27(37)23(35)19(15-30)41-29/h18-20,23-28,30-32,35-37H,4-17H2,1-3H3/t19-,20-,23-,24-,25-,26-,27+,28-,29+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:21](=[O:33])[O:39][C@@H:26]1[C@@H:24]([OH:36])[C@@H:28]([O:42][C@@:29]2([CH2:17][OH:32])[C@@H:27]([OH:37])[C@H:23]([OH:35])[C@@H:19]([CH2:15][OH:30])[O:41]2)[O:38][C@H:20]([CH2:16][OH:31])[C@H:25]1[O:40][C:22]([CH2:14][CH:18]([CH3:2])[CH3:3])=[O:34] |
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