| Properties | Image |
|---|
| MNX_ID | MNXM1195222 |
 |
| reference | envipathM:...bea75ab3fd78 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | BBJCEUJUQJKZKO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-23-31-40-51(59)64-44(43-63-50(58)39-30-25-19-22-28-36-47-46(65-47)35-27-20-8-6-4-2)42-62-49(57)38-29-24-18-21-26-34-45(56)52(60)53(61)54-48(66-54)37-32-33-41-55/h9-10,12-13,20,27,44-48,52-56,60-61H,3-8,11,14-19,21-26,28-43H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C1OC1CCCCO)COC(=O)CCCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-23-31-40-51(59)64-44(43-63-50(58)39-30-25-19-22-28-36-47-46(65-47)35-27-20-8-6-4-2)42-62-49(57)38-29-24-18-21-26-34-45(56)52(60)53(61)54-48(66-54)37-32-33-41-55/h9-10,12-13,20,27,44-48,52-56,60-61H,3-8,11,14-19,21-26,28-43H2,1-2H3/b10-9?,13-12?,27-20?/t44?,45?,46?,47?,48?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:23][CH2:31][CH2:40][C:51](=[O:59])[O:64][CH:44]([CH2:42][O:62][C:49]([CH2:38][CH2:29][CH2:24][CH2:18][CH2:21][CH2:26][CH2:34][CH:45]([CH:52]([CH:53]([CH:54]1[CH:48]([CH2:37][CH2:32][CH2:33][CH2:41][OH:55])[O:66]1)[OH:61])[OH:60])[OH:56])=[O:57])[CH2:43][O:63][C:50]([CH2:39][CH2:30][CH2:25][CH2:19][CH2:22][CH2:28][CH2:36][CH:47]1[CH:46]([CH2:35][CH:27]=[CH:20][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:58] |
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