| Properties | Image |
|---|
| MNX_ID | MNXM1187868 |
 |
| reference | envipathM:...eabb991a3122 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | FHTRDZKOGDOMIQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-9-10-14-21-30-43(56)31-22-19-20-28-38-53(62)65-44(42-64-52(61)37-27-18-12-16-25-35-49-48(66-49)34-24-13-8-6-4-2)41-63-51(60)36-26-17-11-15-23-32-45(57)47(59)40-50-54(67-50)46(58)33-29-39-55/h9-10,13,21,24,30,43-45,47-50,54-57,59H,3-8,11-12,14-20,22-23,25-29,31-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1C(=O)CCCO)COC(=O)CCCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-9-10-14-21-30-43(56)31-22-19-20-28-38-53(62)65-44(42-64-52(61)37-27-18-12-16-25-35-49-48(66-49)34-24-13-8-6-4-2)41-63-51(60)36-26-17-11-15-23-32-45(57)47(59)40-50-54(67-50)46(58)33-29-39-55/h9-10,13,21,24,30,43-45,47-50,54-57,59H,3-8,11-12,14-20,22-23,25-29,31-42H2,1-2H3/b10-9?,24-13?,30-21?/t43?,44?,45?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:14][CH:21]=[CH:30][CH:43]([CH2:31][CH2:22][CH2:19][CH2:20][CH2:28][CH2:38][C:53](=[O:62])[O:65][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:26][CH2:17][CH2:11][CH2:15][CH2:23][CH2:32][CH:45]([CH:47]([CH2:40][CH:50]1[CH:54]([C:46]([CH2:33][CH2:29][CH2:39][OH:55])=[O:58])[O:67]1)[OH:59])[OH:57])=[O:60])[CH2:42][O:64][C:52]([CH2:37][CH2:27][CH2:18][CH2:12][CH2:16][CH2:25][CH2:35][CH:49]1[CH:48]([CH2:34][CH:24]=[CH:13][CH2:8][CH2:6][CH2:4][CH3:2])[O:66]1)=[O:61])[OH:56] |
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