| Properties | Image |
|---|
| MNX_ID | MNXM1180193 |
 |
| reference | envipathM:...69acdc69a6db |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | ZKLJUYWGMGPMIA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-3-5-7-12-25-35-48-54(66-48)45(57)32-23-17-18-27-37-52(59)62-42-44(63-53(60)38-28-15-10-8-9-13-21-30-43(56)31-22-19-20-29-39-55)41-61-51(58)36-26-16-11-14-24-34-47-50(65-47)40-49-46(64-49)33-6-4-2/h21,30,43-50,54-57H,3-20,22-29,31-42H2,1-2H3 |
| SMILES | CCCCCCCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)CCCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-3-5-7-12-25-35-48-54(66-48)45(57)32-23-17-18-27-37-52(59)62-42-44(63-53(60)38-28-15-10-8-9-13-21-30-43(56)31-22-19-20-29-39-55)41-61-51(58)36-26-16-11-14-24-34-47-50(65-47)40-49-46(64-49)33-6-4-2/h21,30,43-50,54-57H,3-20,22-29,31-42H2,1-2H3/b30-21?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:12][CH2:25][CH2:35][CH:48]1[CH:54]([CH:45]([CH2:32][CH2:23][CH2:17][CH2:18][CH2:27][CH2:37][C:52](=[O:59])[O:62][CH2:42][CH:44]([CH2:41][O:61][C:51]([CH2:36][CH2:26][CH2:16][CH2:11][CH2:14][CH2:24][CH2:34][CH:47]2[CH:50]([CH2:40][CH:49]3[CH:46]([CH2:33][CH2:6][CH2:4][CH3:2])[O:64]3)[O:65]2)=[O:58])[O:63][C:53]([CH2:38][CH2:28][CH2:15][CH2:10][CH2:8][CH2:9][CH2:13][CH:21]=[CH:30][CH:43]([CH2:31][CH2:22][CH2:19][CH2:20][CH2:29][CH2:39][OH:55])[OH:56])=[O:60])[OH:57])[O:66]1 |
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