| Properties | Image |
|---|
| MNX_ID | MNXM1181291 |
 |
| reference | envipathM:...48c249f9e463 |
| formula | C26H39O6 |
| global charge | -1 |
| mol weight | 447.592 |
| InChIKey | LRWWGAVXYRXZEL-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H40O6/c1-5-15-17-11-14(27)6-8-25(17,3)16-7-9-26(4)18(21(16)23(15)30)12-19(28)22(26)13(2)10-20(29)24(31)32/h13,15-22,28-29H,5-12H2,1-4H3,(H,31,32)/p-1 |
| SMILES | CCC1C(=O)C2C(CCC3(C)C2CC(O)C3C(C)CC(O)C(=O)[O-])C2(C)CCC(=O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H40O6/c1-5-15-17-11-14(27)6-8-25(17,3)16-7-9-26(4)18(21(16)23(15)30)12-19(28)22(26)13(2)10-20(29)24(31)32/h13,15-22,28-29H,5-12H2,1-4H3,(H,31,32)/t13?,15?,16?,17?,18?,19?,20?,21?,22?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:15]1[CH:17]2[CH2:11][C:14](=[O:27])[CH2:6][CH2:8][C:25]2([CH3:3])[CH:16]2[CH2:7][CH2:9][C:26]3([CH3:4])[CH:18]([CH2:12][CH:19]([OH:28])[CH:22]3[CH:13]([CH3:2])[CH2:10][CH:20]([C:24](=[O:31])[OH:32])[OH:29])[CH:21]2[C:23]1=[O:30] |
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