| Properties | Image |
|---|
| MNX_ID | MNXM1177331 |
 |
| reference | envipathM:...e7b88c168c6a |
| formula | C24H37O6 |
| global charge | -1 |
| mol weight | 421.554 |
| InChIKey | WBPJISCEURLHDO-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H38O6/c1-5-14-17-10-13(25)8-9-23(17,3)18-11-30-22(29)24(4)15(12(2)21(27)28)6-7-16(24)19(18)20(14)26/h12-20,25-26H,5-11H2,1-4H3,(H,27,28)/p-1 |
| SMILES | CCC1C(O)C2C(COC(=O)C3(C)C(C(C)C(=O)[O-])CCC23)C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C24H38O6/c1-5-14-17-10-13(25)8-9-23(17,3)18-11-30-22(29)24(4)15(12(2)21(27)28)6-7-16(24)19(18)20(14)26/h12-20,25-26H,5-11H2,1-4H3,(H,27,28)/t12?,13?,14?,15?,16?,17?,18?,19?,20?,23?,24? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:14]1[CH:17]2[CH2:10][CH:13]([OH:25])[CH2:8][CH2:9][C:23]2([CH3:3])[CH:18]2[CH2:11][O:30][C:22](=[O:29])[C:24]3([CH3:4])[CH:15]([CH:12]([CH3:2])[C:21](=[O:27])[OH:28])[CH2:6][CH2:7][CH:16]3[CH:19]2[CH:20]1[OH:26] |
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