| Properties | Image |
|---|
| MNX_ID | MNXM1177532 |
 |
| reference | envipathM:...95b946ab67f0 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | LOICGUCCZRCNOP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-17-24-32-44(55)33-25-22-23-31-40-54(62)65-45(42-63-52(60)38-29-20-14-18-27-36-47(57)46(56)35-26-16-11-8-5-2)43-64-53(61)39-30-21-15-19-28-37-50-51(66-50)41-49(59)48(58)34-9-6-3/h12-13,16,24,26,32,45,47-51,57-59H,4-11,14-15,17-23,25,27-31,33-43H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(=O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(=O)CC=CCCCC)COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-17-24-32-44(55)33-25-22-23-31-40-54(62)65-45(42-63-52(60)38-29-20-14-18-27-36-47(57)46(56)35-26-16-11-8-5-2)43-64-53(61)39-30-21-15-19-28-37-50-51(66-50)41-49(59)48(58)34-9-6-3/h12-13,16,24,26,32,45,47-51,57-59H,4-11,14-15,17-23,25,27-31,33-43H2,1-3H3/b13-12?,26-16?,32-24?/t45?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:17][CH:24]=[CH:32][C:44]([CH2:33][CH2:25][CH2:22][CH2:23][CH2:31][CH2:40][C:54](=[O:62])[O:65][CH:45]([CH2:42][O:63][C:52]([CH2:38][CH2:29][CH2:20][CH2:14][CH2:18][CH2:27][CH2:36][CH:47]([C:46]([CH2:35][CH:26]=[CH:16][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[OH:57])=[O:60])[CH2:43][O:64][C:53]([CH2:39][CH2:30][CH2:21][CH2:15][CH2:19][CH2:28][CH2:37][CH:50]1[CH:51]([CH2:41][CH:49]([CH:48]([CH2:34][CH2:9][CH2:6][CH3:3])[OH:58])[OH:59])[O:66]1)=[O:61])=[O:55] |
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