| Properties | Image |
|---|
| MNX_ID | MNXM1196547 |
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| reference | envipathM:...338d360a543f |
| formula | C26H39O6 |
| global charge | -1 |
| mol weight | 447.592 |
| InChIKey | KGWKAFVXVIYREJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H40O6/c1-4-16-20-12-15(28)7-9-26(20,3)19-8-10-25(2)17(5-6-18(25)22(19)23(16)30)14(13-27)11-21(29)24(31)32/h14,16-20,22-23,27,30H,4-13H2,1-3H3,(H,31,32)/p-1 |
| SMILES | CCC1C(O)C2C3CCC(C(CO)CC(=O)C(=O)[O-])C3(C)CCC2C2(C)CCC(=O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H40O6/c1-4-16-20-12-15(28)7-9-26(20,3)19-8-10-25(2)17(5-6-18(25)22(19)23(16)30)14(13-27)11-21(29)24(31)32/h14,16-20,22-23,27,30H,4-13H2,1-3H3,(H,31,32)/t14?,16?,17?,18?,19?,20?,22?,23?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH:16]1[CH:20]2[CH2:12][C:15](=[O:28])[CH2:7][CH2:9][C:26]2([CH3:3])[CH:19]2[CH2:8][CH2:10][C:25]3([CH3:2])[CH:17]([CH:14]([CH2:11][C:21]([C:24]([OH:31])=[O:32])=[O:29])[CH2:13][OH:27])[CH2:5][CH2:6][CH:18]3[CH:22]2[CH:23]1[OH:30] |
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