| Properties | Image |
|---|
| MNX_ID | MNXM1193929 |
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| reference | envipathM:...288ea19aae37 |
| formula | C26H43O7 |
| global charge | -1 |
| mol weight | 467.623 |
| InChIKey | FLCBKHFVYLMZNL-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H44O7/c1-5-16-22(31)21-17-12-18(28)20(14(2)6-7-19(29)30)23(17,3)10-11-25(21,32)24(4)9-8-15(27)13-26(16,24)33/h14-18,20-22,27-28,31-33H,5-13H2,1-4H3,(H,29,30)/p-1 |
| SMILES | CCC1C(O)C2C3CC(O)C(C(C)CCC(=O)[O-])C3(C)CCC2(O)C2(C)CCC(O)CC12O |
MNX internals
| InChI (mnx) | InChI=1/C26H44O7/c1-5-16-22(31)21-17-12-18(28)20(14(2)6-7-19(29)30)23(17,3)10-11-25(21,32)24(4)9-8-15(27)13-26(16,24)33/h14-18,20-22,27-28,31-33H,5-13H2,1-4H3,(H,29,30)/t14?,15?,16?,17?,18?,20?,21?,22?,23?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:5][CH:16]1[CH:22]([OH:31])[CH:21]2[CH:17]3[CH2:12][CH:18]([OH:28])[CH:20]([CH:14]([CH3:2])[CH2:6][CH2:7][C:19](=[O:29])[OH:30])[C:23]3([CH3:3])[CH2:10][CH2:11][C:25]2([OH:32])[C:24]2([CH3:4])[CH2:9][CH2:8][CH:15]([OH:27])[CH2:13][C:26]12[OH:33] |
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