| Properties | Image |
|---|
| MNX_ID | MNXM1220294 |
 |
| reference | envipathM:...c54d7596ba16 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | SAMBAMORRWDFIO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-23-31-37-48(58)54(62)65-44(42-63-52(60)39-32-26-20-24-29-35-46(56)45(55)34-28-22-11-8-5-2)43-64-53(61)40-33-27-21-25-30-36-47(57)49(59)41-51-50(66-51)38-9-6-3/h12-13,15-16,22,28,44,46-51,56-59H,4-11,14,17-21,23-27,29-43H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(=O)CC=CCCCC)COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-23-31-37-48(58)54(62)65-44(42-63-52(60)39-32-26-20-24-29-35-46(56)45(55)34-28-22-11-8-5-2)43-64-53(61)40-33-27-21-25-30-36-47(57)49(59)41-51-50(66-51)38-9-6-3/h12-13,15-16,22,28,44,46-51,56-59H,4-11,14,17-21,23-27,29-43H2,1-3H3/b13-12?,16-15?,28-22?/t44?,46?,47?,48?,49?,50?,51? |
 |
| 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][CH2:23][CH2:31][CH2:37][CH:48]([C:54](=[O:62])[O:65][CH:44]([CH2:42][O:63][C:52]([CH2:39][CH2:32][CH2:26][CH2:20][CH2:24][CH2:29][CH2:35][CH:46]([C:45]([CH2:34][CH:28]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])[OH:56])=[O:60])[CH2:43][O:64][C:53]([CH2:40][CH2:33][CH2:27][CH2:21][CH2:25][CH2:30][CH2:36][CH:47]([CH:49]([CH2:41][CH:51]1[CH:50]([CH2:38][CH2:9][CH2:6][CH3:3])[O:66]1)[OH:59])[OH:57])=[O:61])[OH:58] |
|