| Properties | Image |
|---|
| MNX_ID | MNXM1191948 |
 |
| reference | envipathM:...35dec8031fff |
| formula | C26H39O6 |
| global charge | -1 |
| mol weight | 447.592 |
| InChIKey | OVCXFQSPXDXOBC-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H40O6/c1-4-26(32)20-13-16(28)9-11-25(20,3)19-10-12-24(2)17(15(14-27)5-8-21(29)30)6-7-18(24)22(19)23(26)31/h15,17-20,22,27,32H,4-14H2,1-3H3,(H,29,30)/p-1 |
| SMILES | CCC1(O)C(=O)C2C3CCC(C(CO)CCC(=O)[O-])C3(C)CCC2C2(C)CCC(=O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H40O6/c1-4-26(32)20-13-16(28)9-11-25(20,3)19-10-12-24(2)17(15(14-27)5-8-21(29)30)6-7-18(24)22(19)23(26)31/h15,17-20,22,27,32H,4-14H2,1-3H3,(H,29,30)/t15?,17?,18?,19?,20?,22?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:4][C:26]1([OH:32])[CH:20]2[CH2:13][C:16](=[O:28])[CH2:9][CH2:11][C:25]2([CH3:3])[CH:19]2[CH2:10][CH2:12][C:24]3([CH3:2])[CH:17]([CH:15]([CH2:5][CH2:8][C:21](=[O:29])[OH:30])[CH2:14][OH:27])[CH2:6][CH2:7][CH:18]3[CH:22]2[C:23]1=[O:31] |
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