| Properties | Image |
|---|
| MNX_ID | MNXM1191218 |
 |
| reference | envipathM:...1b2334ecd3f5 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | YUDYOCYXKKMWPB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-7-25-32-44(56)53-54(66-53)45(57)33-26-22-23-29-37-51(59)62-42-43(63-52(60)38-30-20-16-14-12-10-8-9-11-13-15-17-24-31-39-55)41-61-50(58)36-28-21-18-19-27-35-47-49(65-47)40-48-46(64-48)34-6-4-2/h13,15,25,32,43,45-49,53-55,57H,3-12,14,16-24,26-31,33-42H2,1-2H3 |
| SMILES | CCCCC=CC(=O)C1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCCCCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-7-25-32-44(56)53-54(66-53)45(57)33-26-22-23-29-37-51(59)62-42-43(63-52(60)38-30-20-16-14-12-10-8-9-11-13-15-17-24-31-39-55)41-61-50(58)36-28-21-18-19-27-35-47-49(65-47)40-48-46(64-48)34-6-4-2/h13,15,25,32,43,45-49,53-55,57H,3-12,14,16-24,26-31,33-42H2,1-2H3/b15-13?,32-25?/t43?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:25]=[CH:32][C:44]([CH:53]1[CH:54]([CH:45]([CH2:33][CH2:26][CH2:22][CH2:23][CH2:29][CH2:37][C:51](=[O:59])[O:62][CH2:42][CH:43]([CH2:41][O:61][C:50]([CH2:36][CH2:28][CH2:21][CH2:18][CH2:19][CH2:27][CH2:35][CH:47]2[CH:49]([CH2:40][CH:48]3[CH:46]([CH2:34][CH2:6][CH2:4][CH3:2])[O:64]3)[O:65]2)=[O:58])[O:63][C:52]([CH2:38][CH2:30][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:24][CH2:31][CH2:39][OH:55])=[O:60])[OH:57])[O:66]1)=[O:56] |
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