| Properties | Image |
|---|
| MNX_ID | MNXM1181989 |
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| reference | envipathM:...e6d8da282fd9 |
| formula | C26H41O6 |
| global charge | -1 |
| mol weight | 449.608 |
| InChIKey | OGFQXOYKZZQRBQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O6/c1-5-15-17-10-14(27)8-9-25(17,3)23-19(29)12-26(4)16(13(2)6-7-20(30)31)11-18(28)22(26)21(23)24(15)32/h13,15-19,21-24,28-29,32H,5-12H2,1-4H3,(H,30,31)/p-1 |
| SMILES | CCC1C(O)C2C3C(O)CC(C(C)CCC(=O)[O-])C3(C)CC(O)C2C2(C)CCC(=O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H42O6/c1-5-15-17-10-14(27)8-9-25(17,3)23-19(29)12-26(4)16(13(2)6-7-20(30)31)11-18(28)22(26)21(23)24(15)32/h13,15-19,21-24,28-29,32H,5-12H2,1-4H3,(H,30,31)/t13?,15?,16?,17?,18?,19?,21?,22?,23?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:5][CH:15]1[CH:17]2[CH2:10][C:14](=[O:27])[CH2:8][CH2:9][C:25]2([CH3:3])[CH:23]2[CH:19]([OH:29])[CH2:12][C:26]3([CH3:4])[CH:16]([CH:13]([CH3:2])[CH2:6][CH2:7][C:20](=[O:30])[OH:31])[CH2:11][CH:18]([OH:28])[CH:22]3[CH:21]2[CH:24]1[OH:32] |
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