| Properties | Image |
|---|
| MNX_ID | MNXM1182555 |
 |
| reference | envipathM:...6406f7b49bf1 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | CGEIFDDETHLAFE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-10-21-29-42(55)38-43(56)30-22-15-12-20-28-37-53(60)63-44(41-62-52(59)36-27-19-14-17-25-34-48-54(66-48)45(57)31-23-11-8-5-2)40-61-51(58)35-26-18-13-16-24-33-47-50(65-47)39-49-46(64-49)32-9-6-3/h21,23,29,31,44-50,54,57H,4-20,22,24-28,30,32-41H2,1-3H3 |
| SMILES | CCCCC=CC(=O)CC(=O)CCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCCC1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-10-21-29-42(55)38-43(56)30-22-15-12-20-28-37-53(60)63-44(41-62-52(59)36-27-19-14-17-25-34-48-54(66-48)45(57)31-23-11-8-5-2)40-61-51(58)35-26-18-13-16-24-33-47-50(65-47)39-49-46(64-49)32-9-6-3/h21,23,29,31,44-50,54,57H,4-20,22,24-28,30,32-41H2,1-3H3/b29-21?,31-23?/t44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:21]=[CH:29][C:42]([CH2:38][C:43]([CH2:30][CH2:22][CH2:15][CH2:12][CH2:20][CH2:28][CH2:37][C:53](=[O:60])[O:63][CH:44]([CH2:40][O:61][C:51]([CH2:35][CH2:26][CH2:18][CH2:13][CH2:16][CH2:24][CH2:33][CH:47]1[CH:50]([CH2:39][CH:49]2[CH:46]([CH2:32][CH2:9][CH2:6][CH3:3])[O:64]2)[O:65]1)=[O:58])[CH2:41][O:62][C:52]([CH2:36][CH2:27][CH2:19][CH2:14][CH2:17][CH2:25][CH2:34][CH:48]1[CH:54]([CH:45]([CH:31]=[CH:23][CH2:11][CH2:8][CH2:5][CH3:2])[OH:57])[O:66]1)=[O:59])=[O:56])=[O:55] |
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