| Properties | Image |
|---|
| MNX_ID | MNXM102410 |
 |
| reference | chebi:67457 |
| formula | C29H42O9 |
| global charge | 0 |
| mol weight | 534.646 |
| InChIKey | OLCVSVNALLDZGQ-IOTHXJBKSA-N |
| InChI | InChI=1S/C29H42O9/c1-7-16(2)25(32)37-22-9-8-21-27(6,23-13-20-10-11-33-26(20)38-23)17(3)12-24(36-19(5)31)28(21,14-34-18(4)30)29(22)15-35-29/h10-11,16-17,20-24,26H,7-9,12-15H2,1-6H3/t16?,17-,20-,21-,22+,23+,24+,26+,27+,28+,29-/m1/s1 |
| SMILES | CCC(C)C(=O)O[C@H]1CC[C@@H]2[C@@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]12CO2 |
MNX internals
| InChI (mnx) | InChI=1/C29H42O9/c1-7-16(2)25(32)37-22-9-8-21-27(6,23-13-20-10-11-33-26(20)38-23)17(3)12-24(36-19(5)31)28(21,14-34-18(4)30)29(22)15-35-29/h10-11,16-17,20-24,26H,7-9,12-15H2,1-6H3/t16?,17-,20-,21-,22+,23+,24+,26+,27+,28+,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH:16]([CH3:2])[C:25](=[O:32])[O:37][C@H:22]1[CH2:9][CH2:8][C@@H:21]2[C@@:27]([CH3:6])([C@@H:23]3[CH2:13][C@H:20]4[CH:10]=[CH:11][O:33][C@H:26]4[O:38]3)[C@H:17]([CH3:3])[CH2:12][C@H:24]([O:36][C:19]([CH3:5])=[O:31])[C@@:28]2([CH2:14][O:34][C:18]([CH3:4])=[O:30])[C@@:29]12[CH2:15][O:35]2 |
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