| Properties | Image |
|---|
| MNX_ID | MNXM1170171 |
 |
| reference | envipathM:...c0f74d73834a |
| formula | C23H33O8 |
| global charge | -1 |
| mol weight | 437.509 |
| InChIKey | DPWDOHSKKGICKL-UHFFFAOYSA-M |
| InChI | InChI=1S/C23H34O8/c1-21-5-3-13(25)8-16(21)20(29)31-11-17-15(21)9-18(26)22(2)14(4-6-23(17,22)30)12(10-24)7-19(27)28/h7,13-18,24-26,30H,3-6,8-11H2,1-2H3,(H,27,28)/p-1 |
| SMILES | CC12CCC(O)CC1C(=O)OCC1C2CC(O)C2(C)C(C(=CC(=O)[O-])CO)CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C23H34O8/c1-21-5-3-13(25)8-16(21)20(29)31-11-17-15(21)9-18(26)22(2)14(4-6-23(17,22)30)12(10-24)7-19(27)28/h7,13-18,24-26,30H,3-6,8-11H2,1-2H3,(H,27,28)/b12-7?/t13?,14?,15?,16?,17?,18?,21?,22?,23? |
 |
| SMILES (mnx) | [CH3:1][C:21]12[CH2:5][CH2:3][CH:13]([OH:25])[CH2:8][CH:16]1[C:20](=[O:29])[O:31][CH2:11][CH:17]1[CH:15]2[CH2:9][CH:18]([OH:26])[C:22]2([CH3:2])[CH:14]([C:12](=[CH:7][C:19](=[O:27])[OH:28])[CH2:10][OH:24])[CH2:4][CH2:6][C:23]12[OH:30] |
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