| Properties | Image |
|---|
| MNX_ID | MNXM1176198 |
 |
| reference | envipathM:...c6efaa2aecc1 |
| formula | C26H39O6 |
| global charge | -1 |
| mol weight | 447.592 |
| InChIKey | XDKVMFJVRREAMK-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H40O6/c1-5-16-18-12-15(27)8-10-24(18,3)22-19(28)13-25(4)17(21(22)23(16)31)9-11-26(25,32)14(2)6-7-20(29)30/h14,16-18,21-23,31-32H,5-13H2,1-4H3,(H,29,30)/p-1 |
| SMILES | CCC1C(O)C2C(C(=O)CC3(C)C2CCC3(O)C(C)CCC(=O)[O-])C2(C)CCC(=O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H40O6/c1-5-16-18-12-15(27)8-10-24(18,3)22-19(28)13-25(4)17(21(22)23(16)31)9-11-26(25,32)14(2)6-7-20(29)30/h14,16-18,21-23,31-32H,5-13H2,1-4H3,(H,29,30)/t14?,16?,17?,18?,21?,22?,23?,24?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:16]1[CH:18]2[CH2:12][C:15](=[O:27])[CH2:8][CH2:10][C:24]2([CH3:3])[CH:22]2[C:19](=[O:28])[CH2:13][C:25]3([CH3:4])[CH:17]([CH2:9][CH2:11][C:26]3([CH:14]([CH3:2])[CH2:6][CH2:7][C:20](=[O:29])[OH:30])[OH:32])[CH:21]2[CH:23]1[OH:31] |
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