| Properties | Image |
|---|
| MNX_ID | MNXM1190285 |
 |
| reference | envipathM:...bc121a298fa8 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | LRWLMNRIBOBMOS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-25-33-45(57)53-54(67-53)46(58)34-26-22-23-29-37-51(61)64-42-43(65-52(62)38-30-20-16-14-12-10-8-9-11-13-15-17-24-31-39-55)41-63-50(60)36-28-21-18-19-27-35-48-49(66-48)40-47(59)44(56)32-6-4-2/h8-9,13,15,25,33,43,45-49,53-55,57-59H,3-7,10-12,14,16-24,26-32,34-42H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(=O)CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-25-33-45(57)53-54(67-53)46(58)34-26-22-23-29-37-51(61)64-42-43(65-52(62)38-30-20-16-14-12-10-8-9-11-13-15-17-24-31-39-55)41-63-50(60)36-28-21-18-19-27-35-48-49(66-48)40-47(59)44(56)32-6-4-2/h8-9,13,15,25,33,43,45-49,53-55,57-59H,3-7,10-12,14,16-24,26-32,34-42H2,1-2H3/b9-8?,15-13?,33-25?/t43?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:25]=[CH:33][CH:45]([CH:53]1[CH:54]([CH:46]([CH2:34][CH2:26][CH2:22][CH2:23][CH2:29][CH2:37][C:51](=[O:61])[O:64][CH2:42][CH:43]([CH2:41][O:63][C:50]([CH2:36][CH2:28][CH2:21][CH2:18][CH2:19][CH2:27][CH2:35][CH:48]2[CH:49]([CH2:40][CH:47]([C:44]([CH2:32][CH2:6][CH2:4][CH3:2])=[O:56])[OH:59])[O:66]2)=[O:60])[O:65][C:52]([CH2:38][CH2:30][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:24][CH2:31][CH2:39][OH:55])=[O:62])[OH:58])[O:67]1)[OH:57] |
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