| Properties | Image |
|---|
| MNX_ID | MNXM1170795 |
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| reference | envipathM:...b0cb49f925ea |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | QQBVBBCJFJQSIE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-39-53(60)64-44(42-62-52(59)38-29-22-18-20-27-36-49-48(65-49)35-26-19-8-6-4-2)43-63-54(61)46(57)34-25-23-24-28-37-50-51(66-50)41-47(58)45(56)33-31-32-40-55/h9-10,12-13,44,46-51,55,57-58H,3-8,11,14-43H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCCC)COC(=O)C(O)CCCCCCC1OC1CC(O)C(=O)CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-39-53(60)64-44(42-62-52(59)38-29-22-18-20-27-36-49-48(65-49)35-26-19-8-6-4-2)43-63-54(61)46(57)34-25-23-24-28-37-50-51(66-50)41-47(58)45(56)33-31-32-40-55/h9-10,12-13,44,46-51,55,57-58H,3-8,11,14-43H2,1-2H3/b10-9?,13-12?/t44?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:21][CH2:30][CH2:39][C:53](=[O:60])[O:64][CH:44]([CH2:42][O:62][C:52]([CH2:38][CH2:29][CH2:22][CH2:18][CH2:20][CH2:27][CH2:36][CH:49]1[CH:48]([CH2:35][CH2:26][CH2:19][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:59])[CH2:43][O:63][C:54]([CH:46]([CH2:34][CH2:25][CH2:23][CH2:24][CH2:28][CH2:37][CH:50]1[CH:51]([CH2:41][CH:47]([C:45]([CH2:33][CH2:31][CH2:32][CH2:40][OH:55])=[O:56])[OH:58])[O:66]1)[OH:57])=[O:61] |
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