| Properties | Image |
|---|
| MNX_ID | MNXM1175993 |
 |
| reference | envipathM:...38aae41c4b77 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | WJBZIKBUPQXITI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-26-38-53(59)63-44(41-61-52(58)37-25-19-16-17-23-33-46-47(64-46)36-29-31-43(56)30-4-2)42-62-54(60)45(57)32-22-20-21-24-34-48-50(65-48)40-51-49(66-51)35-27-28-39-55/h7-8,29,31,44-51,55,57H,3-6,9-28,30,32-42H2,1-2H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(=O)CCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-26-38-53(59)63-44(41-61-52(58)37-25-19-16-17-23-33-46-47(64-46)36-29-31-43(56)30-4-2)42-62-54(60)45(57)32-22-20-21-24-34-48-50(65-48)40-51-49(66-51)35-27-28-39-55/h7-8,29,31,44-51,55,57H,3-6,9-28,30,32-42H2,1-2H3/b8-7?,31-29?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:26][CH2:38][C:53](=[O:59])[O:63][CH:44]([CH2:41][O:61][C:52]([CH2:37][CH2:25][CH2:19][CH2:16][CH2:17][CH2:23][CH2:33][CH:46]1[CH:47]([CH2:36][CH:29]=[CH:31][C:43]([CH2:30][CH2:4][CH3:2])=[O:56])[O:64]1)=[O:58])[CH2:42][O:62][C:54]([CH:45]([CH2:32][CH2:22][CH2:20][CH2:21][CH2:24][CH2:34][CH:48]1[CH:50]([CH2:40][CH:51]2[CH:49]([CH2:35][CH2:27][CH2:28][CH2:39][OH:55])[O:66]2)[O:65]1)[OH:57])=[O:60] |
|