| Properties | Image |
|---|
| MNX_ID | MNXM107581 |
 |
| reference | chebi:67564 |
| formula | C28H40O4 |
| global charge | 0 |
| mol weight | 440.624 |
| InChIKey | UISXVQNCBCKQHL-RKXKHITBSA-N |
| InChI | InChI=1S/C28H40O4/c1-15-16(2)26(31)32-25(15)24(30)17(3)21-8-9-22-20-7-6-18-14-19(29)10-12-27(18,4)23(20)11-13-28(21,22)5/h10,12,14-17,20-25,30H,6-9,11,13H2,1-5H3/t15-,16-,17-,20-,21+,22-,23-,24-,25+,27-,28+/m0/s1 |
| SMILES | C[C@@H]1[C@H]([C@@H](O)[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C28H40O4/c1-15-16(2)26(31)32-25(15)24(30)17(3)21-8-9-22-20-7-6-18-14-19(29)10-12-27(18,4)23(20)11-13-28(21,22)5/h10,12,14-17,20-25,30H,6-9,11,13H2,1-5H3/t15-,16-,17-,20-,21+,22-,23-,24-,25+,27-,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:15]1[C@H:16]([CH3:2])[C:26](=[O:31])[O:32][C@H:25]1[C@H:24]([C@@H:17]([CH3:3])[C@H:21]1[CH2:8][CH2:9][C@H:22]2[C@@H:20]3[CH2:7][CH2:6][C:18]4=[CH:14][C:19](=[O:29])[CH:10]=[CH:12][C@:27]4([CH3:4])[C@H:23]3[CH2:11][CH2:13][C@:28]12[CH3:5])[OH:30] |
|