| Properties | Image |
|---|
| MNX_ID | MNXM1139022 |
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| reference | envipathM:...3550280b82cf |
| formula | C26H43O7 |
| global charge | -1 |
| mol weight | 467.623 |
| InChIKey | BHNBNUXRTITSMW-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H44O7/c1-14(4-5-20(30)31)22-19(29)12-18-21-16(7-9-24(18,22)2)25(3)10-6-15(28)13-26(25,33)17(8-11-27)23(21)32/h14-19,21-23,27-29,32-33H,4-13H2,1-3H3,(H,30,31)/p-1 |
| SMILES | CC(CCC(=O)[O-])C1C(O)CC2C3C(O)C(CCO)C4(O)CC(O)CCC4(C)C3CCC21C |
MNX internals
| InChI (mnx) | InChI=1/C26H44O7/c1-14(4-5-20(30)31)22-19(29)12-18-21-16(7-9-24(18,22)2)25(3)10-6-15(28)13-26(25,33)17(8-11-27)23(21)32/h14-19,21-23,27-29,32-33H,4-13H2,1-3H3,(H,30,31)/t14?,15?,16?,17?,18?,19?,21?,22?,23?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH:14]([CH2:4][CH2:5][C:20](=[O:30])[OH:31])[CH:22]1[CH:19]([OH:29])[CH2:12][CH:18]2[CH:21]3[CH:16]([CH2:7][CH2:9][C:24]21[CH3:2])[C:25]1([CH3:3])[CH2:10][CH2:6][CH:15]([OH:28])[CH2:13][C:26]1([OH:33])[CH:17]([CH2:8][CH2:11][OH:27])[CH:23]3[OH:32] |
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