| Properties | Image |
|---|
| MNX_ID | MNXM108163 |
 |
| reference | chebi:69154 |
| formula | C36H56O8 |
| global charge | 0 |
| mol weight | 616.836 |
| InChIKey | LOUNPPZOBFGBQD-MQQGKSLRSA-N |
| InChI | InChI=1S/C36H56O8/c1-22(13-16-31-35(9,10)33(41)18-19-36(31,11)44-27(6)39)12-15-28(42-25(4)37)20-24(3)30(43-26(5)38)21-29-23(2)14-17-32(40)34(29,7)8/h12,14,20,28-31,33,41H,13,15-19,21H2,1-11H3/b22-12+,24-20+/t28-,29-,30+,31+,33+,36+/m1/s1 |
| SMILES | CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C/[C@@H](C/C=C(\C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC(C)=O)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C36H56O8/c1-22(13-16-31-35(9,10)33(41)18-19-36(31,11)44-27(6)39)12-15-28(42-25(4)37)20-24(3)30(43-26(5)38)21-29-23(2)14-17-32(40)34(29,7)8/h12,14,20,28-31,33,41H,13,15-19,21H2,1-11H3/b22-12+,24-20+/t28-,29-,30+,31+,33+,36+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:22](=[CH:12]\[CH2:15][C@H:28](/[CH:20]=[C:24](\[CH3:3])[C@H:30]([CH2:21][C@@H:29]1[C:23]([CH3:2])=[CH:14][CH2:17][C:32](=[O:40])[C:34]1([CH3:7])[CH3:8])[O:43][C:26]([CH3:5])=[O:38])[O:42][C:25]([CH3:4])=[O:37])[CH2:13][CH2:16][C@H:31]1[C:35]([CH3:9])([CH3:10])[C@@H:33]([OH:41])[CH2:18][CH2:19][C@:36]1([CH3:11])[O:44][C:27]([CH3:6])=[O:39] |
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