| Properties | Image |
|---|
| MNX_ID | MNXM38650 |
 |
| reference | metacycM:CPD-11840 |
| formula | C28H50O2 |
| global charge | 0 |
| mol weight | 418.706 |
| InChIKey | ZHZKWZJLUNXOSN-VDDNJJGASA-N |
| InChI | InChI=1S/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19-,20-,21-,22-,23+,24-,25-,26-,27-,28+/m0/s1 |
| SMILES | CC(C)[C@@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19-,20-,21-,22-,23+,24-,25-,26-,27-,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[C@@H:18]([CH3:3])[CH2:15][C@@H:26]([C@@H:19]([CH3:4])[C@H:23]1[CH2:9][CH2:10][C@H:24]2[C@@H:22]3[CH2:8][CH2:7][C@H:20]4[CH2:16][C@@H:21]([OH:29])[CH2:11][CH2:13][C@:27]4([CH3:5])[C@H:25]3[CH2:12][CH2:14][C@:28]12[CH3:6])[OH:30] |
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