| Properties | Image |
|---|
| MNX_ID | MNXM778276 |
 |
| reference | hmdb:HMDB0093420 |
| formula | C41H80O5 |
| global charge | 0 |
| mol weight | 653.086 |
| InChIKey | BEDMKHXIFIYKKY-KDXMTYKHSA-N |
| InChI | InChI=1S/C41H80O5/c1-37(2)31-27-23-19-15-13-11-9-7-5-6-8-10-12-14-16-21-25-29-33-40(43)45-35-39(42)36-46-41(44)34-30-26-22-18-17-20-24-28-32-38(3)4/h37-39,42H,5-36H2,1-4H3/t39-/m0/s1 |
| SMILES | CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C41H80O5/c1-37(2)31-27-23-19-15-13-11-9-7-5-6-8-10-12-14-16-21-25-29-33-40(43)45-35-39(42)36-46-41(44)34-30-26-22-18-17-20-24-28-32-38(3)4/h37-39,42H,5-36H2,1-4H3/t39-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:37]([CH3:2])[CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:21][CH2:25][CH2:29][CH2:33][C:40](=[O:43])[O:45][CH2:35][C@@H:39]([CH2:36][O:46][C:41]([CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:17][CH2:20][CH2:24][CH2:28][CH2:32][CH:38]([CH3:3])[CH3:4])=[O:44])[OH:42] |
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