| Properties | Image |
|---|
| MNX_ID | MNXM114318 |
 |
| reference | chebi:6836 |
| formula | C28H48O |
| global charge | 0 |
| mol weight | 400.691 |
| InChIKey | LMYZQUNLYGJIHI-CEYCLBAKSA-N |
| InChI | InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19?,20-,22?,23?,24?,25?,26-,27+,28-/m0/s1 |
| SMILES | CC(C)CCCC(C)C1CCC2C3=CCC4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19?,20-,22?,23?,24?,25?,26-,27+,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:18]([CH3:2])[CH2:8][CH2:7][CH2:9][CH:19]([CH3:3])[CH:22]1[CH2:12][CH2:13][CH:24]2[C:21]3=[CH:10][CH2:11][CH:23]4[C@H:20]([CH3:4])[C@@H:26]([OH:29])[CH2:15][CH2:17][C@:28]4([CH3:6])[CH:25]3[CH2:14][CH2:16][C@:27]12[CH3:5] |
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