| Properties | Image |
|---|
| MNX_ID | MNXM1177201 |
 |
| reference | envipathM:...2354864c23b5 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | XJJUYIVOVQEXSF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-7-18-27-35-46-47(64-46)36-29-23-22-26-32-44(56)53(59)62-42-43(63-54(60)45(57)33-25-19-15-13-11-9-8-10-12-14-16-24-31-39-55)41-61-52(58)38-30-21-17-20-28-37-49-51(66-49)40-50-48(65-50)34-6-4-2/h8-9,12,14,18,27,43-51,55-57H,3-7,10-11,13,15-17,19-26,28-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-7-18-27-35-46-47(64-46)36-29-23-22-26-32-44(56)53(59)62-42-43(63-54(60)45(57)33-25-19-15-13-11-9-8-10-12-14-16-24-31-39-55)41-61-52(58)38-30-21-17-20-28-37-49-51(66-49)40-50-48(65-50)34-6-4-2/h8-9,12,14,18,27,43-51,55-57H,3-7,10-11,13,15-17,19-26,28-42H2,1-2H3/b9-8?,14-12?,27-18?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:18]=[CH:27][CH2:35][CH:46]1[CH:47]([CH2:36][CH2:29][CH2:23][CH2:22][CH2:26][CH2:32][CH:44]([C:53](=[O:59])[O:62][CH2:42][CH:43]([CH2:41][O:61][C:52]([CH2:38][CH2:30][CH2:21][CH2:17][CH2:20][CH2:28][CH2:37][CH:49]2[CH:51]([CH2:40][CH:50]3[CH:48]([CH2:34][CH2:6][CH2:4][CH3:2])[O:65]3)[O:66]2)=[O:58])[O:63][C:54]([CH:45]([CH2:33][CH2:25][CH2:19][CH2:15][CH2:13][CH2:11][CH:9]=[CH:8][CH2:10][CH:12]=[CH:14][CH2:16][CH2:24][CH2:31][CH2:39][OH:55])[OH:57])=[O:60])[OH:56])[O:64]1 |
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