| Properties | Image |
|---|
| MNX_ID | MNXM103842 |
 |
| reference | chebi:70246 |
| formula | C35H56O9 |
| global charge | 0 |
| mol weight | 620.824 |
| InChIKey | BTPYUWOBZFGKAI-XYGBCAHESA-N |
| InChI | InChI=1S/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3/t17-,18-,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1 |
| SMILES | C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 |
MNX internals
| InChI (mnx) | InChI=1/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3/t17-,18-,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:17]1[CH2:14][C@@H:19]2[C@@H:26]([C:30]([CH3:4])([CH3:5])[OH:40])[O:44][C@:35]3([C@H:25]1[C@@:31]1([CH3:6])[CH2:12][CH2:13][C@@:34]45[CH2:16][C@@:33]46[CH2:11][CH2:10][C@H:22]([O:42][C@H:27]4[C@H:24]([OH:38])[C@@H:23]([OH:37])[C@H:18]([OH:36])[CH2:15][O:41]4)[C:29]([CH3:2])([CH3:3])[C@@H:20]6[CH2:8][CH2:9][C@H:21]5[C@:32]1([CH3:7])[C@H:28]3[OH:39])[O:43]2 |
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