| Properties | Image |
|---|
| MNX_ID | MNXM1176881 |
 |
| reference | envipathM:...712d977a6151 |
| formula | C26H39O5 |
| global charge | -1 |
| mol weight | 431.593 |
| InChIKey | OHIHOYHMVRLPMA-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H40O5/c1-5-16-20-12-15(27)13-21(28)26(20,4)19-10-11-25(3)17(14(2)6-9-22(29)30)7-8-18(25)23(19)24(16)31/h14,16-21,23,28H,5-13H2,1-4H3,(H,29,30)/p-1 |
| SMILES | CCC1C(=O)C2C3CCC(C(C)CCC(=O)[O-])C3(C)CCC2C2(C)C(O)CC(=O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H40O5/c1-5-16-20-12-15(27)13-21(28)26(20,4)19-10-11-25(3)17(14(2)6-9-22(29)30)7-8-18(25)23(19)24(16)31/h14,16-21,23,28H,5-13H2,1-4H3,(H,29,30)/t14?,16?,17?,18?,19?,20?,21?,23?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:16]1[CH:20]2[CH2:12][C:15](=[O:27])[CH2:13][CH:21]([OH:28])[C:26]2([CH3:4])[CH:19]2[CH2:10][CH2:11][C:25]3([CH3:3])[CH:17]([CH:14]([CH3:2])[CH2:6][CH2:9][C:22](=[O:29])[OH:30])[CH2:7][CH2:8][CH:18]3[CH:23]2[C:24]1=[O:31] |
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