| Properties | Image |
|---|
| MNX_ID | MNXM1192979 |
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| reference | envipathM:...2465390c48b6 |
| formula | C26H39O6 |
| global charge | -1 |
| mol weight | 447.592 |
| InChIKey | RIAFCTBXIFTQDQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H40O6/c1-5-15-18-10-14(27)11-20(28)26(18,4)19-12-21(29)25(3)16(13(2)6-9-22(30)31)7-8-17(25)23(19)24(15)32/h13-20,23,27-28H,5-12H2,1-4H3,(H,30,31)/p-1 |
| SMILES | CCC1C(=O)C2C3CCC(C(C)CCC(=O)[O-])C3(C)C(=O)CC2C2(C)C(O)CC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H40O6/c1-5-15-18-10-14(27)11-20(28)26(18,4)19-12-21(29)25(3)16(13(2)6-9-22(30)31)7-8-17(25)23(19)24(15)32/h13-20,23,27-28H,5-12H2,1-4H3,(H,30,31)/t13?,14?,15?,16?,17?,18?,19?,20?,23?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:5][CH:15]1[CH:18]2[CH2:10][CH:14]([OH:27])[CH2:11][CH:20]([OH:28])[C:26]2([CH3:4])[CH:19]2[CH2:12][C:21](=[O:29])[C:25]3([CH3:3])[CH:16]([CH:13]([CH3:2])[CH2:6][CH2:9][C:22](=[O:30])[OH:31])[CH2:7][CH2:8][CH:17]3[CH:23]2[C:24]1=[O:32] |
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