| Properties | Image |
|---|
| MNX_ID | MNXM1174791 |
 |
| reference | envipathM:...064bb2e40a7f |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | WRNAEFBBGUCJRN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-18-26-34-46(57)47(58)35-27-20-16-23-29-37-52(61)64-42-45(66-54(63)39-31-22-15-13-11-9-8-10-12-14-19-25-32-44(56)41-55)43-65-53(62)38-30-24-17-21-28-36-50-51(67-50)40-49(60)48(59)33-6-4-2/h8,10,14,18-19,26,44-51,55-60H,3-7,9,11-13,15-17,20-25,27-43H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CCC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-18-26-34-46(57)47(58)35-27-20-16-23-29-37-52(61)64-42-45(66-54(63)39-31-22-15-13-11-9-8-10-12-14-19-25-32-44(56)41-55)43-65-53(62)38-30-24-17-21-28-36-50-51(67-50)40-49(60)48(59)33-6-4-2/h8,10,14,18-19,26,44-51,55-60H,3-7,9,11-13,15-17,20-25,27-43H2,1-2H3/b10-8?,19-14?,26-18?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:18]=[CH:26][CH2:34][CH:46]([CH:47]([CH2:35][CH2:27][CH2:20][CH2:16][CH2:23][CH2:29][CH2:37][C:52](=[O:61])[O:64][CH2:42][CH:45]([CH2:43][O:65][C:53]([CH2:38][CH2:30][CH2:24][CH2:17][CH2:21][CH2:28][CH2:36][CH:50]1[CH:51]([CH2:40][CH:49]([CH:48]([CH2:33][CH2:6][CH2:4][CH3:2])[OH:59])[OH:60])[O:67]1)=[O:62])[O:66][C:54]([CH2:39][CH2:31][CH2:22][CH2:15][CH2:13][CH2:11][CH2:9][CH:8]=[CH:10][CH2:12][CH:14]=[CH:19][CH2:25][CH2:32][CH:44]([CH2:41][OH:55])[OH:56])=[O:63])[OH:58])[OH:57] |
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