| Properties | Image |
|---|
| MNX_ID | MNXM166652 |
 |
| reference | biggM:CE5837 |
| formula | C29H50O5 |
| global charge | 0 |
| mol weight | 478.714 |
| InChIKey | VVOOFISPFGUBEC-ILCUQXGXSA-N |
| InChI | InChI=1S/C29H50O5/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-26(6)19-17-24-23(5)25(30)27(7)28(8,33-27)29(24,32-26)34-31/h20-22,31H,9-19H2,1-8H3/t21-,22-,26?,27?,28?,29-/m0/s1 |
| SMILES | CC1=C2CCC(C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O[C@@]2(OO)C2(C)OC2(C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C29H50O5/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-26(6)19-17-24-23(5)25(30)27(7)28(8,33-27)29(24,32-26)34-31/h20-22,31H,9-19H2,1-8H3/t21-,22-,26?,27?,28?,29-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[CH2:12][CH2:9][CH2:13][C@H:21]([CH3:3])[CH2:14][CH2:10][CH2:15][C@H:22]([CH3:4])[CH2:16][CH2:11][CH2:18][C:26]1([CH3:6])[CH2:19][CH2:17][C:24]2=[C:23]([CH3:5])[C:25](=[O:30])[C:27]3([CH3:7])[C:28]([CH3:8])([C@:29]2([O:34][OH:31])[O:32]1)[O:33]3 |
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