| Properties | Image |
|---|
| MNX_ID | MNXM47675 |
 |
| reference | chebi:81158 |
| formula | C29H42O9 |
| global charge | 0 |
| mol weight | 534.646 |
| InChIKey | QITDIWRKOXBKAM-GXMITZSZSA-N |
| InChI | InChI=1S/C29H42O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,14-15,17-21,23-26,32-35H,3-10,12-13H2,1-2H3/t15-,17-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28+,29-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C29H42O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,14-15,17-21,23-26,32-35H,3-10,12-13H2,1-2H3/t15-,17-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28+,29-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:15]1[C@H:23]([OH:32])[C@@H:24]([OH:33])[C@@H:25]([OH:34])[C@H:26]([O:38][C@H:18]2[CH2:5][CH2:9][C@@:28]3([CH:14]=[O:30])[C@@H:17]([CH2:3][CH2:4][C@@H:21]4[C@@H:20]3[CH2:6][CH2:8][C@:27]3([CH3:2])[C@@H:19]([C:16]5=[CH:11][C:22](=[O:31])[O:36][CH2:13]5)[CH2:7][CH2:10][C@:29]43[OH:35])[CH2:12]2)[O:37]1 |
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