| Properties | Image |
|---|
| MNX_ID | MNXM125593 |
 |
| reference | chebi:71000 |
| formula | C29H44O8 |
| global charge | 0 |
| mol weight | 520.663 |
| InChIKey | WQMLFJWIKARBFW-BKKMTDGVSA-N |
| InChI | InChI=1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/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)[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/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/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:31])[C@@H:24]([OH:32])[C@@H:25]([OH:33])[C@H:26]([O:37][C@H:18]2[CH2:6][CH2:9][C@@:27]3([CH3:2])[C@H:17]([CH2:4][CH2:5][C@@H:21]4[C@@H:20]3[CH2:7][CH2:10][C@:28]3([CH3:3])[C@@H:19]([C:16]5=[CH:12][C:22](=[O:30])[O:35][CH2:14]5)[CH2:8][CH2:11][C@:29]43[OH:34])[CH2:13]2)[O:36]1 |
|