| Properties | Image |
|---|
| MNX_ID | MNXM1138068 |
 |
| reference | envipathM:...7b36c034a097 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | PVMXMSHYLCARSP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-50(60)66-43(42-65-49(59)39-32-27-26-30-35-45(56)51(61)44(55)34-28-22-11-8-5-2)41-64-48(58)38-31-25-21-23-29-36-46(57)52(62)53(63)54-47(67-54)37-9-6-3/h12-13,15-16,22,28,43-47,52-57,62-63H,4-11,14,17-21,23-27,29-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C1OC1CCCC)COC(=O)CCCCCCC(O)C(=O)C(O)CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-50(60)66-43(42-65-49(59)39-32-27-26-30-35-45(56)51(61)44(55)34-28-22-11-8-5-2)41-64-48(58)38-31-25-21-23-29-36-46(57)52(62)53(63)54-47(67-54)37-9-6-3/h12-13,15-16,22,28,43-47,52-57,62-63H,4-11,14,17-21,23-27,29-42H2,1-3H3/b13-12?,16-15?,28-22?/t43?,44?,45?,46?,47?,52?,53?,54? |
 |
| 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][CH2:24][CH2:33][CH2:40][C:50](=[O:60])[O:66][CH:43]([CH2:41][O:64][C:48]([CH2:38][CH2:31][CH2:25][CH2:21][CH2:23][CH2:29][CH2:36][CH:46]([CH:52]([CH:53]([CH:54]1[CH:47]([CH2:37][CH2:9][CH2:6][CH3:3])[O:67]1)[OH:63])[OH:62])[OH:57])=[O:58])[CH2:42][O:65][C:49]([CH2:39][CH2:32][CH2:27][CH2:26][CH2:30][CH2:35][CH:45]([C:51]([CH:44]([CH2:34][CH:28]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:61])[OH:56])=[O:59] |
|