| Properties | Image |
|---|
| MNX_ID | MNXM1171104 |
 |
| reference | envipathM:...7abbb5da0d4a |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | HJYLRMVFMCICPR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-23-31-40-54(62)65-45(43-63-52(60)38-29-24-18-21-27-35-47(57)46(56)34-26-20-8-6-4-2)44-64-53(61)39-30-25-19-22-28-37-50-51(66-50)42-49(59)48(58)36-32-33-41-55/h9-10,12-13,20,26,45,47-51,55,57-59H,3-8,11,14-19,21-25,27-44H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(=O)CC=CCCCC)COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-23-31-40-54(62)65-45(43-63-52(60)38-29-24-18-21-27-35-47(57)46(56)34-26-20-8-6-4-2)44-64-53(61)39-30-25-19-22-28-37-50-51(66-50)42-49(59)48(58)36-32-33-41-55/h9-10,12-13,20,26,45,47-51,55,57-59H,3-8,11,14-19,21-25,27-44H2,1-2H3/b10-9?,13-12?,26-20?/t45?,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][CH2:23][CH2:31][CH2:40][C:54](=[O:62])[O:65][CH:45]([CH2:43][O:63][C:52]([CH2:38][CH2:29][CH2:24][CH2:18][CH2:21][CH2:27][CH2:35][CH:47]([C:46]([CH2:34][CH:26]=[CH:20][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56])[OH:57])=[O:60])[CH2:44][O:64][C:53]([CH2:39][CH2:30][CH2:25][CH2:19][CH2:22][CH2:28][CH2:37][CH:50]1[CH:51]([CH2:42][CH:49]([CH:48]([CH2:36][CH2:32][CH2:33][CH2:41][OH:55])[OH:58])[OH:59])[O:66]1)=[O:61] |
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