| Properties | Image |
|---|
| MNX_ID | MNXM1186546 |
 |
| reference | envipathM:...8e7b9ef5e28c |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | PGBQQDBJGZIWAI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-23-31-37-54(61)64-45(42-62-52(59)35-29-24-18-21-27-33-47(58)46(57)32-26-20-8-6-4-2)43-63-53(60)36-30-25-19-22-28-34-48-50(65-48)40-51-49(66-51)39-38-44(56)41-55/h9-10,20,26,45-51,55,57-58H,3-8,11-19,21-25,27-43H2,1-2H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCC)COC(=O)CCCCCCCC1OC1CC1OC1CCC(=O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-23-31-37-54(61)64-45(42-62-52(59)35-29-24-18-21-27-33-47(58)46(57)32-26-20-8-6-4-2)43-63-53(60)36-30-25-19-22-28-34-48-50(65-48)40-51-49(66-51)39-38-44(56)41-55/h9-10,20,26,45-51,55,57-58H,3-8,11-19,21-25,27-43H2,1-2H3/b10-9?,26-20?/t45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:23][CH2:31][CH2:37][C:54](=[O:61])[O:64][CH:45]([CH2:42][O:62][C:52]([CH2:35][CH2:29][CH2:24][CH2:18][CH2:21][CH2:27][CH2:33][CH:47]([CH:46]([CH2:32][CH:26]=[CH:20][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[OH:58])=[O:59])[CH2:43][O:63][C:53]([CH2:36][CH2:30][CH2:25][CH2:19][CH2:22][CH2:28][CH2:34][CH:48]1[CH:50]([CH2:40][CH:51]2[CH:49]([CH2:39][CH2:38][C:44]([CH2:41][OH:55])=[O:56])[O:66]2)[O:65]1)=[O:60] |
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