| Properties | Image |
|---|
| MNX_ID | MNXM1194840 |
 |
| reference | envipathM:...457fadebca44 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | IRIJSEZEHPOGJL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-34-50-51(67-50)40-47(59)45(57)32-23-20-21-24-33-46(58)54(62)64-42-44(65-53(61)38-27-18-14-12-10-8-6-7-9-11-13-15-22-28-39-55)41-63-52(60)37-26-19-16-17-25-35-48-49(66-48)36-29-31-43(56)30-4-2/h6-7,11,13,29,31,43-46,48-51,55-58H,3-5,8-10,12,14-28,30,32-42H2,1-2H3 |
| SMILES | CCCCC1OC1CC(=O)C(O)CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-34-50-51(67-50)40-47(59)45(57)32-23-20-21-24-33-46(58)54(62)64-42-44(65-53(61)38-27-18-14-12-10-8-6-7-9-11-13-15-22-28-39-55)41-63-52(60)37-26-19-16-17-25-35-48-49(66-48)36-29-31-43(56)30-4-2/h6-7,11,13,29,31,43-46,48-51,55-58H,3-5,8-10,12,14-28,30,32-42H2,1-2H3/b7-6?,13-11?,31-29?/t43?,44?,45?,46?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:34][CH:50]1[CH:51]([CH2:40][C:47]([CH:45]([CH2:32][CH2:23][CH2:20][CH2:21][CH2:24][CH2:33][CH:46]([C:54](=[O:62])[O:64][CH2:42][CH:44]([CH2:41][O:63][C:52]([CH2:37][CH2:26][CH2:19][CH2:16][CH2:17][CH2:25][CH2:35][CH:48]2[CH:49]([CH2:36][CH:29]=[CH:31][CH:43]([CH2:30][CH2:4][CH3:2])[OH:56])[O:66]2)=[O:60])[O:65][C:53]([CH2:38][CH2:27][CH2:18][CH2:14][CH2:12][CH2:10][CH2:8][CH:6]=[CH:7][CH2:9][CH:11]=[CH:13][CH2:15][CH2:22][CH2:28][CH2:39][OH:55])=[O:61])[OH:58])[OH:57])=[O:59])[O:67]1 |
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