| Properties | Image |
|---|
| MNX_ID | MNXM1172275 |
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| reference | envipathM:...45527ba19a50 |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | JMGIQEUDLZDXIJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-5-16-17-12-15(27)8-9-25(17,4)26(32)11-10-24(3)18(21(26)22(16)30)13-33-23(31)20(24)14(2)6-7-19(28)29/h14-18,20-22,27,30,32H,5-13H2,1-4H3,(H,28,29)/p-1 |
| SMILES | CCC1C(O)C2C3COC(=O)C(C(C)CCC(=O)[O-])C3(C)CCC2(O)C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-5-16-17-12-15(27)8-9-25(17,4)26(32)11-10-24(3)18(21(26)22(16)30)13-33-23(31)20(24)14(2)6-7-19(28)29/h14-18,20-22,27,30,32H,5-13H2,1-4H3,(H,28,29)/t14?,15?,16?,17?,18?,20?,21?,22?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:5][CH:16]1[CH:17]2[CH2:12][CH:15]([OH:27])[CH2:8][CH2:9][C:25]2([CH3:4])[C:26]2([OH:32])[CH2:11][CH2:10][C:24]3([CH3:3])[CH:18]([CH2:13][O:33][C:23](=[O:31])[CH:20]3[CH:14]([CH3:2])[CH2:6][CH2:7][C:19](=[O:28])[OH:29])[CH:21]2[CH:22]1[OH:30] |
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