| Properties | Image |
|---|
| MNX_ID | MNXM105500 |
 |
| reference | chebi:65998 |
| formula | C29H48O2 |
| global charge | 0 |
| mol weight | 428.701 |
| InChIKey | LXRLKMAYPPIRJM-GACZPLPESA-N |
| InChI | InChI=1S/C29H48O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h17-20,23-27,31H,7-16H2,1-6H3/t19-,20+,23-,24+,25-,26-,27+,28-,29+/m0/s1 |
| SMILES | CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C29H48O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h17-20,23-27,31H,7-16H2,1-6H3/t19-,20+,23-,24+,25-,26-,27+,28-,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][C@H:20]([CH2:16][C@H:27]([C@@H:19]([CH3:4])[C@H:24]1[CH2:10][CH2:11][C@H:25]2[C@@H:23]3[CH2:9][CH2:8][C:21]4=[CH:17][C:22](=[O:30])[CH2:12][CH2:14][C@:28]4([CH3:5])[C@H:26]3[CH2:13][CH2:15][C@:29]12[CH3:6])[OH:31])[CH:18]([CH3:2])[CH3:3] |
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