| Properties | Image |
|---|
| MNX_ID | MNXM1195290 |
 |
| reference | envipathM:...d5cd09628666 |
| formula | C24H39O7 |
| global charge | -1 |
| mol weight | 439.569 |
| InChIKey | NLZUMRSLDSPZDQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H40O7/c1-5-14-19(27)18-16-7-6-15(12(2)20(28)29)22(16,4)17(26)11-24(18,31)21(3)9-8-13(25)10-23(14,21)30/h12-19,25-27,30-31H,5-11H2,1-4H3,(H,28,29)/p-1 |
| SMILES | CCC1C(O)C2C3CCC(C(C)C(=O)[O-])C3(C)C(O)CC2(O)C2(C)CCC(O)CC12O |
MNX internals
| InChI (mnx) | InChI=1/C24H40O7/c1-5-14-19(27)18-16-7-6-15(12(2)20(28)29)22(16,4)17(26)11-24(18,31)21(3)9-8-13(25)10-23(14,21)30/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:14]1[CH:19]([OH:27])[CH:18]2[CH:16]3[CH2:7][CH2:6][CH:15]([CH:12]([CH3:2])[C:20](=[O:28])[OH:29])[C:22]3([CH3:4])[CH:17]([OH:26])[CH2:11][C:24]2([OH:31])[C:21]2([CH3:3])[CH2:9][CH2:8][CH:13]([OH:25])[CH2:10][C:23]12[OH:30] |
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