| Properties | Image |
|---|
| MNX_ID | MNXM1194843 |
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| reference | envipathM:...19ce6422bd59 |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | RALMTBMCNFPKIO-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-5-16-18-12-15(27)8-10-23(18,3)26(33)13-19(28)24(4)17(21(26)22(16)31)9-11-25(24,32)14(2)6-7-20(29)30/h14-18,21-22,27,31-33H,5-13H2,1-4H3,(H,29,30)/p-1 |
| SMILES | CCC1C(O)C2C3CCC(O)(C(C)CCC(=O)[O-])C3(C)C(=O)CC2(O)C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-5-16-18-12-15(27)8-10-23(18,3)26(33)13-19(28)24(4)17(21(26)22(16)31)9-11-25(24,32)14(2)6-7-20(29)30/h14-18,21-22,27,31-33H,5-13H2,1-4H3,(H,29,30)/t14?,15?,16?,17?,18?,21?,22?,23?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:5][CH:16]1[CH:18]2[CH2:12][CH:15]([OH:27])[CH2:8][CH2:10][C:23]2([CH3:3])[C:26]2([OH:33])[CH2:13][C:19](=[O:28])[C:24]3([CH3:4])[CH:17]([CH2:9][CH2:11][C:25]3([CH:14]([CH3:2])[CH2:6][CH2:7][C:20](=[O:29])[OH:30])[OH:32])[CH:21]2[CH:22]1[OH:31] |
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