| Properties | Image |
|---|
| MNX_ID | MNXM1195948 |
 |
| reference | envipathM:...ec5d27b747a2 |
| formula | C54H88O12 |
| global charge | 0 |
| mol weight | 929.286 |
| InChIKey | JLROFYBEXMFQOO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H88O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-29-38-52(59)63-43(42-62-54(60)45(57)33-25-23-24-32-44(56)53-48(66-53)36-27-19-8-6-4-2)41-61-51(58)37-28-22-18-20-26-34-46-49(64-46)40-50-47(65-50)35-30-31-39-55/h9-10,12-13,19,27,39,43,45-50,53,57H,3-8,11,14-18,20-26,28-38,40-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC=O)COC(=O)C(O)CCCCCC(=O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H88O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-29-38-52(59)63-43(42-62-54(60)45(57)33-25-23-24-32-44(56)53-48(66-53)36-27-19-8-6-4-2)41-61-51(58)37-28-22-18-20-26-34-46-49(64-46)40-50-47(65-50)35-30-31-39-55/h9-10,12-13,19,27,39,43,45-50,53,57H,3-8,11,14-18,20-26,28-38,40-42H2,1-2H3/b10-9?,13-12?,27-19?/t43?,45?,46?,47?,48?,49?,50?,53? |
 |
| 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][CH2:21][CH2:29][CH2:38][C:52](=[O:59])[O:63][CH:43]([CH2:41][O:61][C:51]([CH2:37][CH2:28][CH2:22][CH2:18][CH2:20][CH2:26][CH2:34][CH:46]1[CH:49]([CH2:40][CH:50]2[CH:47]([CH2:35][CH2:30][CH2:31][CH:39]=[O:55])[O:65]2)[O:64]1)=[O:58])[CH2:42][O:62][C:54]([CH:45]([CH2:33][CH2:25][CH2:23][CH2:24][CH2:32][C:44]([CH:53]1[CH:48]([CH2:36][CH:27]=[CH:19][CH2:8][CH2:6][CH2:4][CH3:2])[O:66]1)=[O:56])[OH:57])=[O:60] |
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