| Properties | Image |
|---|
| MNX_ID | MNXM1176038 |
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| reference | envipathM:...3642c29c04e3 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | QQIGHJVGZIJXNY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-7-22-31-44(56)32-23-14-9-8-10-18-29-39-54(61)64-45(43-63-53(60)38-28-20-12-16-25-35-48-49(65-48)36-26-17-13-21-30-40-55)42-62-52(59)37-27-19-11-15-24-33-46(57)47(58)41-51-50(66-51)34-6-4-2/h17,22,26,31,45-51,55,57-58H,3-16,18-21,23-25,27-30,32-43H2,1-2H3 |
| SMILES | CCCCC=CC(=O)CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCCC1OC1CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-7-22-31-44(56)32-23-14-9-8-10-18-29-39-54(61)64-45(43-63-53(60)38-28-20-12-16-25-35-48-49(65-48)36-26-17-13-21-30-40-55)42-62-52(59)37-27-19-11-15-24-33-46(57)47(58)41-51-50(66-51)34-6-4-2/h17,22,26,31,45-51,55,57-58H,3-16,18-21,23-25,27-30,32-43H2,1-2H3/b26-17?,31-22?/t45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:22]=[CH:31][C:44]([CH2:32][CH2:23][CH2:14][CH2:9][CH2:8][CH2:10][CH2:18][CH2:29][CH2:39][C:54](=[O:61])[O:64][CH:45]([CH2:42][O:62][C:52]([CH2:37][CH2:27][CH2:19][CH2:11][CH2:15][CH2:24][CH2:33][CH:46]([CH:47]([CH2:41][CH:51]1[CH:50]([CH2:34][CH2:6][CH2:4][CH3:2])[O:66]1)[OH:58])[OH:57])=[O:59])[CH2:43][O:63][C:53]([CH2:38][CH2:28][CH2:20][CH2:12][CH2:16][CH2:25][CH2:35][CH:48]1[CH:49]([CH2:36][CH:26]=[CH:17][CH2:13][CH2:21][CH2:30][CH2:40][OH:55])[O:65]1)=[O:60])=[O:56] |
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