| Properties | Image |
|---|
| MNX_ID | MNXM102127 |
 |
| reference | chebi:66662 |
| formula | C23H36O5 |
| global charge | 0 |
| mol weight | 392.536 |
| InChIKey | JZRGFUZJIZSKTF-ALFLKXBZSA-N |
| InChI | InChI=1S/C23H36O5/c1-7-21(4)12-9-16-22(5)11-8-10-20(2,3)19(22)15(14-23(16,6)28-21)27-18(26)13-17(24)25/h7,15-16,19H,1,8-14H2,2-6H3,(H,24,25)/t15-,16+,19-,21-,22+,23+/m0/s1 |
| SMILES | C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](OC(=O)CC(=O)O)C[C@@]2(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C23H36O5/c1-7-21(4)12-9-16-22(5)11-8-10-20(2,3)19(22)15(14-23(16,6)28-21)27-18(26)13-17(24)25/h7,15-16,19H,1,8-14H2,2-6H3,(H,24,25)/t15-,16+,19-,21-,22+,23+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:7][C@@:21]1([CH3:4])[CH2:12][CH2:9][C@@H:16]2[C@@:22]3([CH3:5])[CH2:11][CH2:8][CH2:10][C:20]([CH3:2])([CH3:3])[C@@H:19]3[C@@H:15]([O:27][C:18]([CH2:13][C:17](=[O:24])[OH:25])=[O:26])[CH2:14][C@@:23]2([CH3:6])[O:28]1 |
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