| Properties | Image |
|---|
| MNX_ID | MNXM117071 |
 |
| reference | hmdb:HMDB0030125 |
| formula | C29H48O |
| global charge | 0 |
| mol weight | 412.702 |
| InChIKey | AIPIOTMFPXYEQS-UHFFFAOYSA-N |
| InChI | InChI=1S/C29H48O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h19,21-25,30H,3,7-18H2,1-2,4-6H3 |
| SMILES | C=C(CCC(C)C1CCC2(C)C3CCC4CC(O)CCC45CC35CCC12C)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C29H48O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h19,21-25,30H,3,7-18H2,1-2,4-6H3/t21?,22?,23?,24?,25?,26?,27?,28?,29? |
 |
| SMILES (mnx) | [CH3:1][CH:19]([CH3:2])[C:20](=[CH2:3])[CH2:7][CH2:8][CH:21]([CH3:4])[CH:24]1[CH2:12][CH2:13][C:27]2([CH3:6])[CH:25]3[CH2:10][CH2:9][CH:22]4[CH2:17][CH:23]([OH:30])[CH2:11][CH2:14][C:28]45[CH2:18][C:29]35[CH2:16][CH2:15][C:26]12[CH3:5] |
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