| Properties | Image |
|---|
| MNX_ID | MNXM1189485 |
 |
| reference | envipathM:...f0705fcb814f |
| formula | C26H39O6 |
| global charge | -1 |
| mol weight | 447.592 |
| InChIKey | ZHUNPHWBOFGJTL-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H40O6/c1-5-15-17-10-14(27)8-9-25(17,3)18-12-20(29)26(4)16(13(2)6-7-21(30)31)11-19(28)23(26)22(18)24(15)32/h13-19,22-23,27-28H,5-12H2,1-4H3,(H,30,31)/p-1 |
| SMILES | CCC1C(=O)C2C(CC(=O)C3(C)C(C(C)CCC(=O)[O-])CC(O)C23)C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H40O6/c1-5-15-17-10-14(27)8-9-25(17,3)18-12-20(29)26(4)16(13(2)6-7-21(30)31)11-19(28)23(26)22(18)24(15)32/h13-19,22-23,27-28H,5-12H2,1-4H3,(H,30,31)/t13?,14?,15?,16?,17?,18?,19?,22?,23?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:15]1[CH:17]2[CH2:10][CH:14]([OH:27])[CH2:8][CH2:9][C:25]2([CH3:3])[CH:18]2[CH2:12][C:20](=[O:29])[C:26]3([CH3:4])[CH:16]([CH:13]([CH3:2])[CH2:6][CH2:7][C:21](=[O:30])[OH:31])[CH2:11][CH:19]([OH:28])[CH:23]3[CH:22]2[C:24]1=[O:32] |
|