| Properties | Image |
|---|
| MNX_ID | MNXM1183295 |
 |
| reference | envipathM:...63803a270430 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | SYKIJAHHWTVBFW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-22-31-44(56)32-23-14-9-8-10-18-29-39-54(63)66-45(42-64-52(61)37-27-19-11-15-24-33-46(57)47(58)34-25-17-13-21-30-40-55)43-65-53(62)38-28-20-12-16-26-35-48(59)49(60)41-51-50(67-51)36-6-4-2/h17,22-23,25,31-32,44-48,50-51,55-59H,3-16,18-21,24,26-30,33-43H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(=O)CC1OC1CCCC)COC(=O)CCCCCCCC(O)C(O)CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-22-31-44(56)32-23-14-9-8-10-18-29-39-54(63)66-45(42-64-52(61)37-27-19-11-15-24-33-46(57)47(58)34-25-17-13-21-30-40-55)43-65-53(62)38-28-20-12-16-26-35-48(59)49(60)41-51-50(67-51)36-6-4-2/h17,22-23,25,31-32,44-48,50-51,55-59H,3-16,18-21,24,26-30,33-43H2,1-2H3/b25-17?,31-22?,32-23?/t44?,45?,46?,47?,48?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:22]=[CH:31][CH:44]([CH:32]=[CH:23][CH2:14][CH2:9][CH2:8][CH2:10][CH2:18][CH2:29][CH2:39][C:54](=[O:63])[O:66][CH:45]([CH2:42][O:64][C:52]([CH2:37][CH2:27][CH2:19][CH2:11][CH2:15][CH2:24][CH2:33][CH:46]([CH:47]([CH2:34][CH:25]=[CH:17][CH2:13][CH2:21][CH2:30][CH2:40][OH:55])[OH:58])[OH:57])=[O:61])[CH2:43][O:65][C:53]([CH2:38][CH2:28][CH2:20][CH2:12][CH2:16][CH2:26][CH2:35][CH:48]([C:49]([CH2:41][CH:51]1[CH:50]([CH2:36][CH2:6][CH2:4][CH3:2])[O:67]1)=[O:60])[OH:59])=[O:62])[OH:56] |
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