| Properties | Image |
|---|
| MNX_ID | MNXM1177264 |
 |
| reference | envipathM:...27ecab51fbf6 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | HIGZGPLSWGVKMR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-28-39-54(61)64-45(42-62-52(59)37-26-22-17-19-24-34-48-49(65-48)36-29-31-44(56)32-30-40-55)43-63-53(60)38-27-23-18-20-25-35-50-51(66-50)41-47(58)46(57)33-6-4-2/h8-9,11-12,29,31,40,44-45,47-51,56,58H,3-7,10,13-28,30,32-39,41-43H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC=O)COC(=O)CCCCCCCC1OC1CC(O)C(=O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-28-39-54(61)64-45(42-62-52(59)37-26-22-17-19-24-34-48-49(65-48)36-29-31-44(56)32-30-40-55)43-63-53(60)38-27-23-18-20-25-35-50-51(66-50)41-47(58)46(57)33-6-4-2/h8-9,11-12,29,31,40,44-45,47-51,56,58H,3-7,10,13-28,30,32-39,41-43H2,1-2H3/b9-8?,12-11?,31-29?/t44?,45?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:21][CH2:28][CH2:39][C:54](=[O:61])[O:64][CH:45]([CH2:42][O:62][C:52]([CH2:37][CH2:26][CH2:22][CH2:17][CH2:19][CH2:24][CH2:34][CH:48]1[CH:49]([CH2:36][CH:29]=[CH:31][CH:44]([CH2:32][CH2:30][CH:40]=[O:55])[OH:56])[O:65]1)=[O:59])[CH2:43][O:63][C:53]([CH2:38][CH2:27][CH2:23][CH2:18][CH2:20][CH2:25][CH2:35][CH:50]1[CH:51]([CH2:41][CH:47]([C:46]([CH2:33][CH2:6][CH2:4][CH3:2])=[O:57])[OH:58])[O:66]1)=[O:60] |
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