| Properties | Image |
|---|
| MNX_ID | MNXM103243 |
 |
| reference | chebi:68100 |
| formula | C32H50O4 |
| global charge | 0 |
| mol weight | 498.748 |
| InChIKey | LALJNSPMSICJKG-CDQXLAKPSA-N |
| InChI | InChI=1S/C32H50O4/c1-20(2)9-8-10-21(3)23-13-15-29(6)24-11-12-25-30(7,27(34)35)26(36-22(4)33)14-16-31(25)19-32(24,31)18-17-28(23,29)5/h9,21,23-26H,8,10-19H2,1-7H3,(H,34,35)/t21-,23-,24+,25+,26+,28-,29+,30+,31-,32+/m1/s1 |
| SMILES | CC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3[C@]1(C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C32H50O4/c1-20(2)9-8-10-21(3)23-13-15-29(6)24-11-12-25-30(7,27(34)35)26(36-22(4)33)14-16-31(25)19-32(24,31)18-17-28(23,29)5/h9,21,23-26H,8,10-19H2,1-7H3,(H,34,35)/t21-,23-,24+,25+,26+,28-,29+,30+,31-,32+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:20]([CH3:2])=[CH:9][CH2:8][CH2:10][C@@H:21]([CH3:3])[C@H:23]1[CH2:13][CH2:15][C@@:29]2([CH3:6])[C@@H:24]3[CH2:11][CH2:12][C@H:25]4[C@:30]([CH3:7])([C:27](=[O:34])[OH:35])[C@@H:26]([O:36][C:22]([CH3:4])=[O:33])[CH2:14][CH2:16][C@@:31]45[CH2:19][C@@:32]35[CH2:18][CH2:17][C@:28]12[CH3:5] |
|