| Properties | Image |
|---|
| MNX_ID | MNXM101451 |
 |
| reference | chebi:67469 |
| formula | C29H44O10 |
| global charge | 0 |
| mol weight | 552.661 |
| InChIKey | RZHRFYOKQJTDFE-RAHYLWCHSA-N |
| InChI | InChI=1S/C29H44O10/c1-7-15(2)25(33)37-21-9-8-20-27(6,22-11-19-12-24(32)39-26(19)38-22)16(3)10-23(36-18(5)31)28(20,13-34-17(4)30)29(21)14-35-29/h15-16,19-24,26,32H,7-14H2,1-6H3/t15?,16-,19+,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]4CC(O)O[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/C29H44O10/c1-7-15(2)25(33)37-21-9-8-20-27(6,22-11-19-12-24(32)39-26(19)38-22)16(3)10-23(36-18(5)31)28(20,13-34-17(4)30)29(21)14-35-29/h15-16,19-24,26,32H,7-14H2,1-6H3/t15?,16-,19+,20-,21+,22+,23+,24?,26-,27+,28+,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH:15]([CH3:2])[C:25](=[O:33])[O:37][C@H:21]1[CH2:9][CH2:8][C@@H:20]2[C@@:27]([CH3:6])([C@@H:22]3[CH2:11][C@H:19]4[CH2:12][CH:24]([OH:32])[O:39][C@H:26]4[O:38]3)[C@H:16]([CH3:3])[CH2:10][C@H:23]([O:36][C:18]([CH3:5])=[O:31])[C@@:28]2([CH2:13][O:34][C:17]([CH3:4])=[O:30])[C@@:29]12[CH2:14][O:35]2 |
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