| Properties | Image |
|---|
| MNX_ID | MNXM1172247 |
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| reference | envipathM:...d683051c714f |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | PEAOPHWIWICZMV-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-5-14-18-10-13(27)11-19(28)26(18,4)17-8-9-25(3)15(6-7-16(25)20(17)22(14)30)12(2)21(29)23(31)24(32)33/h12,14-23,28-31H,5-11H2,1-4H3,(H,32,33)/p-1 |
| SMILES | CCC1C(O)C2C3CCC(C(C)C(O)C(O)C(=O)[O-])C3(C)CCC2C2(C)C(O)CC(=O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-5-14-18-10-13(27)11-19(28)26(18,4)17-8-9-25(3)15(6-7-16(25)20(17)22(14)30)12(2)21(29)23(31)24(32)33/h12,14-23,28-31H,5-11H2,1-4H3,(H,32,33)/t12?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:14]1[CH:18]2[CH2:10][C:13](=[O:27])[CH2:11][CH:19]([OH:28])[C:26]2([CH3:4])[CH:17]2[CH2:8][CH2:9][C:25]3([CH3:3])[CH:15]([CH:12]([CH3:2])[CH:21]([CH:23]([C:24](=[O:32])[OH:33])[OH:31])[OH:29])[CH2:6][CH2:7][CH:16]3[CH:20]2[CH:22]1[OH:30] |
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