| Properties | Image |
|---|
| MNX_ID | MNXM1186188 |
 |
| reference | envipathM:...ee66996a912d |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | ILUDOEIACDFNAL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-36-53(61)64-42(41-63-52(60)35-29-24-23-25-31-43(56)54-47(67-54)33-27-19-8-6-4-2)40-62-51(59)34-28-22-18-20-26-32-46-49(65-46)38-50-48(66-50)37-44(57)45(58)39-55/h9-10,12-13,19,27,42-44,46-50,54-57H,3-8,11,14-18,20-26,28-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CC(O)C(=O)CO)COC(=O)CCCCCCC(O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-36-53(61)64-42(41-63-52(60)35-29-24-23-25-31-43(56)54-47(67-54)33-27-19-8-6-4-2)40-62-51(59)34-28-22-18-20-26-32-46-49(65-46)38-50-48(66-50)37-44(57)45(58)39-55/h9-10,12-13,19,27,42-44,46-50,54-57H,3-8,11,14-18,20-26,28-41H2,1-2H3/b10-9?,13-12?,27-19?/t42?,43?,44?,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][CH2:21][CH2:30][CH2:36][C:53](=[O:61])[O:64][CH:42]([CH2:40][O:62][C:51]([CH2:34][CH2:28][CH2:22][CH2:18][CH2:20][CH2:26][CH2:32][CH:46]1[CH:49]([CH2:38][CH:50]2[CH:48]([CH2:37][CH:44]([C:45]([CH2:39][OH:55])=[O:58])[OH:57])[O:66]2)[O:65]1)=[O:59])[CH2:41][O:63][C:52]([CH2:35][CH2:29][CH2:24][CH2:23][CH2:25][CH2:31][CH:43]([CH:54]1[CH:47]([CH2:33][CH:27]=[CH:19][CH2:8][CH2:6][CH2:4][CH3:2])[O:67]1)[OH:56])=[O:60] |
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