| Properties | Image |
|---|
| MNX_ID | MNXM1170416 |
 |
| reference | envipathM:...e53d5264b01f |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | FHBUDDCXFKMGLI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-30-39-53(63)66-44(43-65-52(62)38-29-24-19-21-27-36-50-54(67-50)47(58)35-25-8-6-4-2)42-64-51(61)37-28-23-18-20-26-33-45(56)48(59)41-49(60)46(57)34-31-32-40-55/h9-10,12-13,25,35,44-50,54-60H,3-8,11,14-24,26-34,36-43H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC(O)C(O)CCCCO)COC(=O)CCCCCCCC1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-30-39-53(63)66-44(43-65-52(62)38-29-24-19-21-27-36-50-54(67-50)47(58)35-25-8-6-4-2)42-64-51(61)37-28-23-18-20-26-33-45(56)48(59)41-49(60)46(57)34-31-32-40-55/h9-10,12-13,25,35,44-50,54-60H,3-8,11,14-24,26-34,36-43H2,1-2H3/b10-9?,13-12?,35-25?/t44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:22][CH2:30][CH2:39][C:53](=[O:63])[O:66][CH:44]([CH2:42][O:64][C:51]([CH2:37][CH2:28][CH2:23][CH2:18][CH2:20][CH2:26][CH2:33][CH:45]([CH:48]([CH2:41][CH:49]([CH:46]([CH2:34][CH2:31][CH2:32][CH2:40][OH:55])[OH:57])[OH:60])[OH:59])[OH:56])=[O:61])[CH2:43][O:65][C:52]([CH2:38][CH2:29][CH2:24][CH2:19][CH2:21][CH2:27][CH2:36][CH:50]1[CH:54]([CH:47]([CH:35]=[CH:25][CH2:8][CH2:6][CH2:4][CH3:2])[OH:58])[O:67]1)=[O:62] |
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