| Properties | Image |
|---|
| MNX_ID | MNXM1195507 |
 |
| reference | envipathM:...c7dde68a2e78 |
| formula | C24H37O6 |
| global charge | -1 |
| mol weight | 421.554 |
| InChIKey | PAOQZXSVZPVTPR-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H38O6/c1-4-13-18-9-12(26)10-19(27)24(18,3)17-7-8-23(2)15(14(11-25)22(29)30)5-6-16(23)20(17)21(13)28/h11-21,26-28H,4-10H2,1-3H3,(H,29,30)/p-1 |
| SMILES | CCC1C(O)C2C3CCC(C(C=O)C(=O)[O-])C3(C)CCC2C2(C)C(O)CC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C24H38O6/c1-4-13-18-9-12(26)10-19(27)24(18,3)17-7-8-23(2)15(14(11-25)22(29)30)5-6-16(23)20(17)21(13)28/h11-21,26-28H,4-10H2,1-3H3,(H,29,30)/t12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,23?,24? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH:13]1[CH:18]2[CH2:9][CH:12]([OH:26])[CH2:10][CH:19]([OH:27])[C:24]2([CH3:3])[CH:17]2[CH2:7][CH2:8][C:23]3([CH3:2])[CH:15]([CH:14]([CH:11]=[O:25])[C:22](=[O:29])[OH:30])[CH2:5][CH2:6][CH:16]3[CH:20]2[CH:21]1[OH:28] |
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