| Properties | Image |
|---|
| MNX_ID | MNXM1192977 |
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| reference | envipathM:...d2b14b3bfe16 |
| formula | C26H43O7 |
| global charge | -1 |
| mol weight | 467.623 |
| InChIKey | VRFYYAHMKATMAH-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H44O7/c1-4-17-19-13-16(28)7-9-23(19,2)26(33)12-11-24(3)18(21(26)22(17)31)8-10-25(24,32)15(14-27)5-6-20(29)30/h15-19,21-22,27-28,31-33H,4-14H2,1-3H3,(H,29,30)/p-1 |
| SMILES | CCC1C(O)C2C3CCC(O)(C(CO)CCC(=O)[O-])C3(C)CCC2(O)C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H44O7/c1-4-17-19-13-16(28)7-9-23(19,2)26(33)12-11-24(3)18(21(26)22(17)31)8-10-25(24,32)15(14-27)5-6-20(29)30/h15-19,21-22,27-28,31-33H,4-14H2,1-3H3,(H,29,30)/t15?,16?,17?,18?,19?,21?,22?,23?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH:17]1[CH:19]2[CH2:13][CH:16]([OH:28])[CH2:7][CH2:9][C:23]2([CH3:2])[C:26]2([OH:33])[CH2:12][CH2:11][C:24]3([CH3:3])[CH:18]([CH2:8][CH2:10][C:25]3([CH:15]([CH2:5][CH2:6][C:20](=[O:29])[OH:30])[CH2:14][OH:27])[OH:32])[CH:21]2[CH:22]1[OH:31] |
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