| Properties | Image |
|---|
| MNX_ID | MNXM1198415 |
 |
| reference | envipathM:...4a2efd93da1c |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | CAWBZZJRDZHQCL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-10-12-13-16-23-31-43(55)32-24-19-21-30-39-53(61)64-44(42-63-52(60)38-29-22-20-25-34-46(57)54-49(66-54)36-27-15-11-8-5-2)41-62-51(59)37-28-18-14-17-26-35-48-50(65-48)40-47(58)45(56)33-9-6-3/h12-13,15,23,27,31,43-45,48-50,54-56H,4-11,14,16-22,24-26,28-30,32-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC(=O)C(O)CCCC)COC(=O)CCCCCCC(=O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-10-12-13-16-23-31-43(55)32-24-19-21-30-39-53(61)64-44(42-63-52(60)38-29-22-20-25-34-46(57)54-49(66-54)36-27-15-11-8-5-2)41-62-51(59)37-28-18-14-17-26-35-48-50(65-48)40-47(58)45(56)33-9-6-3/h12-13,15,23,27,31,43-45,48-50,54-56H,4-11,14,16-22,24-26,28-30,32-42H2,1-3H3/b13-12?,27-15?,31-23?/t43?,44?,45?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH:23]=[CH:31][CH:43]([CH2:32][CH2:24][CH2:19][CH2:21][CH2:30][CH2:39][C:53](=[O:61])[O:64][CH:44]([CH2:41][O:62][C:51]([CH2:37][CH2:28][CH2:18][CH2:14][CH2:17][CH2:26][CH2:35][CH:48]1[CH:50]([CH2:40][C:47]([CH:45]([CH2:33][CH2:9][CH2:6][CH3:3])[OH:56])=[O:58])[O:65]1)=[O:59])[CH2:42][O:63][C:52]([CH2:38][CH2:29][CH2:22][CH2:20][CH2:25][CH2:34][C:46]([CH:54]1[CH:49]([CH2:36][CH:27]=[CH:15][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)=[O:57])=[O:60])[OH:55] |
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