| Properties | Image |
|---|
| MNX_ID | MNXM1179242 |
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| reference | envipathM:...956d92b01988 |
| formula | C24H39O7 |
| global charge | -1 |
| mol weight | 439.569 |
| InChIKey | JMOYEIQOADQIRT-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H40O7/c1-5-13-14-10-12(25)6-8-21(14,2)17-15(26)11-22(3)16(23(4,30)20(28)29)7-9-24(22,31)18(17)19(13)27/h12-19,25-27,30-31H,5-11H2,1-4H3,(H,28,29)/p-1 |
| SMILES | CCC1C(O)C2C(C(O)CC3(C)C(C(C)(O)C(=O)[O-])CCC23O)C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C24H40O7/c1-5-13-14-10-12(25)6-8-21(14,2)17-15(26)11-22(3)16(23(4,30)20(28)29)7-9-24(22,31)18(17)19(13)27/h12-19,25-27,30-31H,5-11H2,1-4H3,(H,28,29)/t12?,13?,14?,15?,16?,17?,18?,19?,21?,22?,23?,24? |
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| SMILES (mnx) | [CH3:1][CH2:5][CH:13]1[CH:14]2[CH2:10][CH:12]([OH:25])[CH2:6][CH2:8][C:21]2([CH3:2])[CH:17]2[CH:15]([OH:26])[CH2:11][C:22]3([CH3:3])[CH:16]([C:23]([CH3:4])([C:20](=[O:28])[OH:29])[OH:30])[CH2:7][CH2:9][C:24]3([OH:31])[CH:18]2[CH:19]1[OH:27] |
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