| Properties | Image |
|---|
| MNX_ID | MNXM1176062 |
 |
| reference | envipathM:...c8fe1a813a15 |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | JNRYEXHNIBKYPZ-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-14(4-5-21(30)31)23-19(29)13-18-22-16(7-10-26(18,23)3)25(2)9-6-15(28)12-17(25)20(8-11-27)33-24(22)32/h14-20,22-23,27-29H,4-13H2,1-3H3,(H,30,31)/p-1 |
| SMILES | CC(CCC(=O)[O-])C1C(O)CC2C3C(=O)OC(CCO)C4CC(O)CCC4(C)C3CCC21C |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-14(4-5-21(30)31)23-19(29)13-18-22-16(7-10-26(18,23)3)25(2)9-6-15(28)12-17(25)20(8-11-27)33-24(22)32/h14-20,22-23,27-29H,4-13H2,1-3H3,(H,30,31)/t14?,15?,16?,17?,18?,19?,20?,22?,23?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH:14]([CH2:4][CH2:5][C:21](=[O:30])[OH:31])[CH:23]1[CH:19]([OH:29])[CH2:13][CH:18]2[CH:22]3[CH:16]([CH2:7][CH2:10][C:26]21[CH3:3])[C:25]1([CH3:2])[CH2:9][CH2:6][CH:15]([OH:28])[CH2:12][CH:17]1[CH:20]([CH2:8][CH2:11][OH:27])[O:33][C:24]3=[O:32] |
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