| Properties | Image |
|---|
| MNX_ID | MNXM1185955 |
 |
| reference | envipathM:...379ad5dfd309 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | HWLMNIMSGPUHDN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-22-28-35-46(57)54(61)64-43(41-62-51(59)38-31-24-20-23-30-37-49-48(65-49)36-29-21-11-8-5-2)42-63-52(60)39-32-26-25-27-34-45(56)53-50(66-53)40-47(58)44(55)33-9-6-3/h12-13,15-16,21,29,43-46,48-50,53,55-57H,4-11,14,17-20,22-28,30-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCC(O)C1OC1CC(=O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-22-28-35-46(57)54(61)64-43(41-62-51(59)38-31-24-20-23-30-37-49-48(65-49)36-29-21-11-8-5-2)42-63-52(60)39-32-26-25-27-34-45(56)53-50(66-53)40-47(58)44(55)33-9-6-3/h12-13,15-16,21,29,43-46,48-50,53,55-57H,4-11,14,17-20,22-28,30-42H2,1-3H3/b13-12?,16-15?,29-21?/t43?,44?,45?,46?,48?,49?,50?,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][CH2:22][CH2:28][CH2:35][CH:46]([C:54](=[O:61])[O:64][CH:43]([CH2:41][O:62][C:51]([CH2:38][CH2:31][CH2:24][CH2:20][CH2:23][CH2:30][CH2:37][CH:49]1[CH:48]([CH2:36][CH:29]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:59])[CH2:42][O:63][C:52]([CH2:39][CH2:32][CH2:26][CH2:25][CH2:27][CH2:34][CH:45]([CH:53]1[CH:50]([CH2:40][C:47]([CH:44]([CH2:33][CH2:9][CH2:6][CH3:3])[OH:55])=[O:58])[O:66]1)[OH:56])=[O:60])[OH:57] |
|