| Properties | Image |
|---|
| MNX_ID | MNXM729417 |
 |
| reference | biggM:CE0233 |
| formula | C27H48O3 |
| global charge | 0 |
| mol weight | 420.678 |
| InChIKey | UROPIWALBBMYRP-CVWSJRAXSA-N |
| InChI | InChI=1S/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19+,20-,21-,22-,23+,24-,26?,27-/m1/s1 |
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@@]21C)C1(C)CC[C@H](O)C[C@@H]1C[C@@H]3O |
MNX internals
| InChI (mnx) | InChI=1/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19+,20-,21-,22-,23+,24-,26?,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:17]([CH2:7][CH2:6][CH2:12][C:25]([CH3:2])([CH3:3])[OH:30])[C@H:20]1[CH2:8][CH2:9][C@@H:21]2[C@@H:24]3[C@@H:22]([CH2:11][CH2:14][C@:27]12[CH3:5])[C:26]1([CH3:4])[CH2:13][CH2:10][C@H:19]([OH:28])[CH2:15][C@@H:18]1[CH2:16][C@@H:23]3[OH:29] |
|