| Properties | Image |
|---|
| MNX_ID | MNXM683043 |
 |
| reference | metacycM:CPD-19049 |
| formula | C29H48O15 |
| global charge | 0 |
| mol weight | 636.688 |
| InChIKey | JTIAMKZBSXQQDB-QAFHIVESSA-N |
| InChI | InChI=1S/C29H48O15/c1-8-16(6)27(37)42-24-23(40-20(34)9-14(2)3)19(12-31)39-28(25(24)38-17(7)33)44-29(13-32)26(22(36)18(11-30)43-29)41-21(35)10-15(4)5/h14-16,18-19,22-26,28,30-32,36H,8-13H2,1-7H3/t16?,18-,19-,22-,23-,24+,25-,26+,28-,29+/m1/s1 |
| SMILES | CCC(C)C(=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/C29H48O15/c1-8-16(6)27(37)42-24-23(40-20(34)9-14(2)3)19(12-31)39-28(25(24)38-17(7)33)44-29(13-32)26(22(36)18(11-30)43-29)41-21(35)10-15(4)5/h14-16,18-19,22-26,28,30-32,36H,8-13H2,1-7H3/t16?,18-,19-,22-,23-,24+,25-,26+,28-,29+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH:16]([CH3:6])[C:27](=[O:37])[O:42][C@H:24]1[C@H:23]([O:40][C:20]([CH2:9][CH:14]([CH3:2])[CH3:3])=[O:34])[C@@H:19]([CH2:12][OH:31])[O:39][C@H:28]([O:44][C@@:29]2([CH2:13][OH:32])[C@@H:26]([O:41][C:21]([CH2:10][CH:15]([CH3:4])[CH3:5])=[O:35])[C@H:22]([OH:36])[C@@H:18]([CH2:11][OH:30])[O:43]2)[C@@H:25]1[O:38][C:17]([CH3:7])=[O:33] |
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