| Properties | Image |
|---|
| MNX_ID | MNXM101373 |
 |
| reference | chebi:70537 |
| formula | C32H48O8 |
| global charge | 0 |
| mol weight | 560.728 |
| InChIKey | UYRXGTWBDKFNED-SVOQZPEWSA-N |
| InChI | InChI=1S/C32H48O8/c1-7-8-9-10-11-12-13-14-25(35)39-28-20(3)31(38)23(26-29(5,6)32(26,28)40-21(4)34)16-22(18-33)17-30(37)24(31)15-19(2)27(30)36/h15-16,20,23-24,26,28,33,37-38H,7-14,17-18H2,1-6H3/t20-,23+,24-,26-,28-,30-,31-,32-/m1/s1 |
| SMILES | CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C32H48O8/c1-7-8-9-10-11-12-13-14-25(35)39-28-20(3)31(38)23(26-29(5,6)32(26,28)40-21(4)34)16-22(18-33)17-30(37)24(31)15-19(2)27(30)36/h15-16,20,23-24,26,28,33,37-38H,7-14,17-18H2,1-6H3/t20-,23+,24-,26-,28-,30-,31-,32-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:25](=[O:35])[O:39][C@@H:28]1[C@@H:20]([CH3:3])[C@@:31]2([OH:38])[C@@H:23]([CH:16]=[C:22]([CH2:18][OH:33])[CH2:17][C@@:30]3([OH:37])[C@H:24]2[CH:15]=[C:19]([CH3:2])[C:27]3=[O:36])[C@@H:26]2[C:29]([CH3:5])([CH3:6])[C@@:32]21[O:40][C:21]([CH3:4])=[O:34] |
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