| Properties | Image |
|---|
| MNX_ID | MNXM145071 |
 |
| reference | hmdb:HMDB0041092 |
| formula | C37H64O5 |
| global charge | 0 |
| mol weight | 588.914 |
| InChIKey | KCYRZEFVHDREPK-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3 |
| SMILES | CCCCCCCCCCC1OC1CCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3/t29?,31?,32?,33?,34?,35?,36? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:13][CH2:16][CH2:19][CH2:22][CH:31]1[CH:33]([CH2:24][CH2:26][CH:35]2[CH:36]([CH2:27][CH2:25][CH:34]3[CH:32]([CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:9][CH2:8][CH2:10][CH2:12][CH2:15][CH2:18][CH2:21][C:30]4=[CH:28][CH:29]([CH3:2])[O:39][C:37]4=[O:38])[O:41]3)[O:42]2)[O:40]1 |
|