| Properties | Image |
|---|
| MNX_ID | MNXM1191683 |
 |
| reference | envipathM:...294730b86546 |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | BVWRPXKVDFFKEB-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-4-26(33)20-12-15(28)7-9-25(20,3)18-8-10-24(2)16(5-6-17(24)21(18)22(26)30)14(13-27)11-19(29)23(31)32/h14,16-22,27,29-30,33H,4-13H2,1-3H3,(H,31,32)/p-1 |
| SMILES | CCC1(O)C(O)C2C3CCC(C(CO)CC(O)C(=O)[O-])C3(C)CCC2C2(C)CCC(=O)CC21 |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-4-26(33)20-12-15(28)7-9-25(20,3)18-8-10-24(2)16(5-6-17(24)21(18)22(26)30)14(13-27)11-19(29)23(31)32/h14,16-22,27,29-30,33H,4-13H2,1-3H3,(H,31,32)/t14?,16?,17?,18?,19?,20?,21?,22?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:4][C:26]1([OH:33])[CH:20]2[CH2:12][C:15](=[O:28])[CH2:7][CH2:9][C:25]2([CH3:3])[CH:18]2[CH2:8][CH2:10][C:24]3([CH3:2])[CH:16]([CH:14]([CH2:11][CH:19]([C:23](=[O:31])[OH:32])[OH:29])[CH2:13][OH:27])[CH2:5][CH2:6][CH:17]3[CH:21]2[CH:22]1[OH:30] |
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