| Properties | Image |
|---|
| MNX_ID | MNXM1195549 |
 |
| reference | envipathM:...ba3bce23c2e6 |
| formula | C26H39O6 |
| global charge | -1 |
| mol weight | 447.592 |
| InChIKey | HRWLOSLOVMONAY-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H40O6/c1-5-25(31)19-14-16(27)10-11-24(19,4)26(32)13-12-23(3)17(15(2)6-9-20(28)29)7-8-18(23)21(26)22(25)30/h15,17-19,21,31-32H,5-14H2,1-4H3,(H,28,29)/p-1 |
| SMILES | CCC1(O)C(=O)C2C3CCC(C(C)CCC(=O)[O-])C3(C)CCC2(O)C2(C)CCC(=O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H40O6/c1-5-25(31)19-14-16(27)10-11-24(19,4)26(32)13-12-23(3)17(15(2)6-9-20(28)29)7-8-18(23)21(26)22(25)30/h15,17-19,21,31-32H,5-14H2,1-4H3,(H,28,29)/t15?,17?,18?,19?,21?,23?,24?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C:25]1([OH:31])[CH:19]2[CH2:14][C:16](=[O:27])[CH2:10][CH2:11][C:24]2([CH3:4])[C:26]2([OH:32])[CH2:13][CH2:12][C:23]3([CH3:3])[CH:17]([CH:15]([CH3:2])[CH2:6][CH2:9][C:20](=[O:28])[OH:29])[CH2:7][CH2:8][CH:18]3[CH:21]2[C:22]1=[O:30] |
|