| Properties | Image |
|---|
| MNX_ID | MNXM114009 |
 |
| reference | chebi:69565 |
| formula | C32H42O10 |
| global charge | 0 |
| mol weight | 586.678 |
| InChIKey | NHELFTYSELEEFD-SVAWBNMMSA-N |
| InChI | InChI=1S/C32H42O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h11-15,19,21-22,24-27,33,36-37H,2,7-10,16H2,1,3-6H3/b12-11+,14-13+/t19-,21-,22+,24-,25+,26-,27-,28+,29-,30-,31+,32+/m1/s1 |
| SMILES | C=C(C)[C@@]12O[C@@]3(/C=C/C=C/CCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C32H42O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h11-15,19,21-22,24-27,33,36-37H,2,7-10,16H2,1,3-6H3/b12-11+,14-13+/t19-,21-,22+,24-,25+,26-,27-,28+,29-,30-,31+,32+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]/[CH:13]=[CH:14]/[C@@:29]12[O:40][C@@H:26]3[C@@H:22]4[C@H:25]5[C@@:28]([CH2:16][OH:33])([C@@H:27]([OH:36])[C@@:30]6([OH:37])[C@@H:21]([CH:15]=[C:18]([CH3:4])[C:23]6=[O:35])[C@:32]4([C@H:19]([CH3:5])[C@@H:24]([O:38][C:20]([CH3:6])=[O:34])[C@:31]3([C:17](=[CH2:2])[CH3:3])[O:41]1)[O:42]2)[O:39]5 |
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