| Properties | Image |
|---|
| MNX_ID | MNXM47600 |
 |
| reference | keggC:C19902 |
| formula | C29H48O7 |
| global charge | 0 |
| mol weight | 508.696 |
| InChIKey | IRHVLQMEQPABHG-GHFTVTFTSA-N |
| InChI | InChI=1S/C29H48O7/c1-13(2)15-10-20(36-21(32)11-15)14(3)17-12-19(31)23-22-16(6-8-29(17,23)5)28(4)9-7-18(30)25(33)24(28)27(35)26(22)34/h13-18,20-27,30,32-35H,6-12H2,1-5H3/t14-,15+,16-,17+,18+,20+,21?,22+,23+,24+,25-,26+,27+,28+,29+/m0/s1 |
| SMILES | CC(C)[C@H]1CC(O)O[C@@H]([C@@H](C)[C@H]2CC(=O)[C@@H]3[C@@H]4[C@@H](O)[C@H](O)[C@H]5[C@@H](O)[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H48O7/c1-13(2)15-10-20(36-21(32)11-15)14(3)17-12-19(31)23-22-16(6-8-29(17,23)5)28(4)9-7-18(30)25(33)24(28)27(35)26(22)34/h13-18,20-27,30,32-35H,6-12H2,1-5H3/t14-,15+,16-,17+,18+,20+,21?,22+,23+,24+,25-,26+,27+,28+,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[C@@H:15]1[CH2:10][C@H:20]([C@@H:14]([CH3:3])[C@H:17]2[CH2:12][C:19](=[O:31])[C@@H:23]3[C@H:22]4[C@H:16]([CH2:6][CH2:8][C@:29]23[CH3:5])[C@@:28]2([CH3:4])[CH2:9][CH2:7][C@@H:18]([OH:30])[C@H:25]([OH:33])[C@@H:24]2[C@@H:27]([OH:35])[C@@H:26]4[OH:34])[O:36][CH:21]([OH:32])[CH2:11]1 |
|