| Properties | Image |
|---|
| MNX_ID | MNXM104809 |
 |
| reference | chebi:65825 |
| formula | C29H40O8 |
| global charge | 0 |
| mol weight | 516.631 |
| InChIKey | GKRZHFATSIESKX-VXCHEOLLSA-N |
| InChI | InChI=1S/C29H40O8/c1-26-14-22-21(36-25-29(32,37-22)23(33-3)8-11-34-25)13-17(26)4-5-20-19(26)6-9-27(2)18(7-10-28(20,27)31)16-12-24(30)35-15-16/h12-13,18-23,25,31-32H,4-11,14-15H2,1-3H3/t18-,19+,20-,21-,22-,23+,25+,26+,27-,28+,29+/m1/s1 |
| SMILES | CO[C@H]1CCO[C@H]2O[C@@H]3C=C4CC[C@@H]5[C@H](CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)C[C@H]3O[C@]21O |
MNX internals
| InChI (mnx) | InChI=1/C29H40O8/c1-26-14-22-21(36-25-29(32,37-22)23(33-3)8-11-34-25)13-17(26)4-5-20-19(26)6-9-27(2)18(7-10-28(20,27)31)16-12-24(30)35-15-16/h12-13,18-23,25,31-32H,4-11,14-15H2,1-3H3/t18-,19+,20-,21-,22-,23+,25+,26+,27-,28+,29+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:26]12[CH2:14][C@@H:22]3[C@@H:21]([CH:13]=[C:17]1[CH2:4][CH2:5][C@@H:20]1[C@@H:19]2[CH2:6][CH2:9][C@:27]2([CH3:2])[C@@H:18]([C:16]4=[CH:12][C:24](=[O:30])[O:35][CH2:15]4)[CH2:7][CH2:10][C@:28]12[OH:31])[O:36][C@H:25]1[C@:29]([OH:32])([C@@H:23]([O:33][CH3:3])[CH2:8][CH2:11][O:34]1)[O:37]3 |
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