| Properties | Image |
|---|
| MNX_ID | MNXM1172929 |
 |
| reference | envipathM:...ad838196cbf4 |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | NLFRLQQGWKRSHP-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-14(4-7-21(30)31)16-5-6-17-22-18(9-11-24(16,17)2)25(3)10-8-15(28)12-19(25)26(33,23(22)32)20(29)13-27/h14-19,22-23,27-28,32-33H,4-13H2,1-3H3,(H,30,31)/p-1 |
| SMILES | CC(CCC(=O)[O-])C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1C(O)(C(=O)CO)C3O |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-14(4-7-21(30)31)16-5-6-17-22-18(9-11-24(16,17)2)25(3)10-8-15(28)12-19(25)26(33,23(22)32)20(29)13-27/h14-19,22-23,27-28,32-33H,4-13H2,1-3H3,(H,30,31)/t14?,15?,16?,17?,18?,19?,22?,23?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH:14]([CH2:4][CH2:7][C:21](=[O:30])[OH:31])[CH:16]1[CH2:5][CH2:6][CH:17]2[CH:22]3[CH:18]([CH2:9][CH2:11][C:24]12[CH3:2])[C:25]1([CH3:3])[CH2:10][CH2:8][CH:15]([OH:28])[CH2:12][CH:19]1[C:26]([C:20]([CH2:13][OH:27])=[O:29])([OH:33])[CH:23]3[OH:32] |
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