| Properties | Image |
|---|
| MNX_ID | MNXM1193926 |
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| reference | envipathM:...ec798b2ab242 |
| formula | C26H41O6 |
| global charge | -1 |
| mol weight | 449.608 |
| InChIKey | DNVOLYLKRZPTFM-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O6/c1-5-26(32)19-12-15(27)13-20(28)25(19,4)18-10-11-24(3)16(14(2)6-9-21(29)30)7-8-17(24)22(18)23(26)31/h14-20,22,27-28,32H,5-13H2,1-4H3,(H,29,30)/p-1 |
| SMILES | CCC1(O)C(=O)C2C3CCC(C(C)CCC(=O)[O-])C3(C)CCC2C2(C)C(O)CC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H42O6/c1-5-26(32)19-12-15(27)13-20(28)25(19,4)18-10-11-24(3)16(14(2)6-9-21(29)30)7-8-17(24)22(18)23(26)31/h14-20,22,27-28,32H,5-13H2,1-4H3,(H,29,30)/t14?,15?,16?,17?,18?,19?,20?,22?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:5][C:26]1([OH:32])[CH:19]2[CH2:12][CH:15]([OH:27])[CH2:13][CH:20]([OH:28])[C:25]2([CH3:4])[CH:18]2[CH2:10][CH2:11][C:24]3([CH3:3])[CH:16]([CH:14]([CH3:2])[CH2:6][CH2:9][C:21](=[O:29])[OH:30])[CH2:7][CH2:8][CH:17]3[CH:22]2[C:23]1=[O:31] |
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