| Properties | Image |
|---|
| MNX_ID | MNXM1177034 |
 |
| reference | envipathM:...a076f16415f9 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | QLMFOCDGDKCIPA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-9-21-33-46-47(65-46)34-22-10-8-11-24-36-52(59)62-40-44(64-53(60)37-25-15-12-17-27-42(56)28-18-16-19-29-43(57)30-26-38-55)41-63-54(61)45(58)31-20-13-14-23-35-49-51(67-49)39-50-48(66-50)32-6-4-2/h9,18-19,21,28-29,38,42-51,56-58H,3-8,10-17,20,22-27,30-37,39-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CCC=CC(O)CCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-9-21-33-46-47(65-46)34-22-10-8-11-24-36-52(59)62-40-44(64-53(60)37-25-15-12-17-27-42(56)28-18-16-19-29-43(57)30-26-38-55)41-63-54(61)45(58)31-20-13-14-23-35-49-51(67-49)39-50-48(66-50)32-6-4-2/h9,18-19,21,28-29,38,42-51,56-58H,3-8,10-17,20,22-27,30-37,39-41H2,1-2H3/b21-9?,28-18?,29-19?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:21][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:22][CH2:10][CH2:8][CH2:11][CH2:24][CH2:36][C:52](=[O:59])[O:62][CH2:40][CH:44]([CH2:41][O:63][C:54]([CH:45]([CH2:31][CH2:20][CH2:13][CH2:14][CH2:23][CH2:35][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:32][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)[OH:58])=[O:61])[O:64][C:53]([CH2:37][CH2:25][CH2:15][CH2:12][CH2:17][CH2:27][CH:42]([CH:28]=[CH:18][CH2:16][CH:19]=[CH:29][CH:43]([CH2:30][CH2:26][CH:38]=[O:55])[OH:57])[OH:56])=[O:60])[O:65]1 |
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