| Properties | Image |
|---|
| MNX_ID | MNXM1173339 |
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| reference | envipathM:...85819051070d |
| formula | C23H31O8 |
| global charge | -1 |
| mol weight | 435.493 |
| InChIKey | LPHJCSPMCSSKBG-UHFFFAOYSA-M |
| InChI | InChI=1S/C23H32O8/c1-21-5-3-14(25)8-13(21)11-31-20(29)19-16(21)9-17(26)22(2)15(4-6-23(19,22)30)12(10-24)7-18(27)28/h7,13,15-17,19,24,26,30H,3-6,8-11H2,1-2H3,(H,27,28)/p-1 |
| SMILES | CC12CCC(=O)CC1COC(=O)C1C2CC(O)C2(C)C(C(=CC(=O)[O-])CO)CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C23H32O8/c1-21-5-3-14(25)8-13(21)11-31-20(29)19-16(21)9-17(26)22(2)15(4-6-23(19,22)30)12(10-24)7-18(27)28/h7,13,15-17,19,24,26,30H,3-6,8-11H2,1-2H3,(H,27,28)/b12-7?/t13?,15?,16?,17?,19?,21?,22?,23? |
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| SMILES (mnx) | [CH3:1][C:21]12[CH2:5][CH2:3][C:14](=[O:25])[CH2:8][CH:13]1[CH2:11][O:31][C:20](=[O:29])[CH:19]1[CH:16]2[CH2:9][CH:17]([OH:26])[C:22]2([CH3:2])[CH:15]([C:12](=[CH:7][C:18](=[O:27])[OH:28])[CH2:10][OH:24])[CH2:4][CH2:6][C:23]12[OH:30] |
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