| Properties | Image |
|---|
| MNX_ID | MNXM1193974 |
 |
| reference | envipathM:...d0fdd59baf2f |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | IZECDSNKGYDNES-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-32-39-49(58)63-42(41-62-54(60)44(56)34-28-25-26-30-36-45-51(64-45)43(55)33-27-11-8-5-2)40-61-48(57)38-31-24-21-22-29-37-47-53(66-47)50(59)52-46(65-52)35-9-6-3/h12-13,15-16,42,44-47,50-53,56,59H,4-11,14,17-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1C(=O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-32-39-49(58)63-42(41-62-54(60)44(56)34-28-25-26-30-36-45-51(64-45)43(55)33-27-11-8-5-2)40-61-48(57)38-31-24-21-22-29-37-47-53(66-47)50(59)52-46(65-52)35-9-6-3/h12-13,15-16,42,44-47,50-53,56,59H,4-11,14,17-41H2,1-3H3/b13-12?,16-15?/t42?,44?,45?,46?,47?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:23][CH2:32][CH2:39][C:49](=[O:58])[O:63][CH:42]([CH2:40][O:61][C:48]([CH2:38][CH2:31][CH2:24][CH2:21][CH2:22][CH2:29][CH2:37][CH:47]1[CH:53]([CH:50]([CH:52]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:65]2)[OH:59])[O:66]1)=[O:57])[CH2:41][O:62][C:54]([CH:44]([CH2:34][CH2:28][CH2:25][CH2:26][CH2:30][CH2:36][CH:45]1[CH:51]([C:43]([CH2:33][CH2:27][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])[O:64]1)[OH:56])=[O:60] |
|