| Properties | Image |
|---|
| MNX_ID | MNXM164633 |
 |
| reference | metacycM:CPD-18637 |
| formula | C33H64O3 |
| global charge | 0 |
| mol weight | 508.872 |
| InChIKey | JLBXXJBUZHUUFY-VCYCBOLBSA-N |
| InChI | InChI=1S/C33H64O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-31(34)29-32(35)28-25-24-26-30(3)33(36)5-2/h26,31-32,34-35H,4-25,27-29H2,1-3H3/b30-26+/t31-,32-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCC/C=C(\C)C(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C33H64O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-31(34)29-32(35)28-25-24-26-30(3)33(36)5-2/h26,31-32,34-35H,4-25,27-29H2,1-3H3/b30-26+/t31-,32-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:27][C@H:31]([CH2:29][C@@H:32]([CH2:28][CH2:25][CH2:24]/[CH:26]=[C:30](\[CH3:3])[C:33]([CH2:5][CH3:2])=[O:36])[OH:35])[OH:34] |
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