| Properties | Image |
|---|
| MNX_ID | MNXM1189115 |
 |
| reference | envipathM:...9c42ed9514ef |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | IDNSPFJIBYLXKX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-11-23-33-46-47(65-46)34-24-13-10-14-25-35-51(59)62-40-42(64-53(61)37-27-18-15-21-30-44(57)43(56)29-20-12-8-9-19-28-38-55)41-63-52(60)36-26-17-16-22-31-45(58)54-50(67-54)39-49-48(66-49)32-6-4-2/h8,11-12,23,42-50,54-58H,3-7,9-10,13-22,24-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C(O)CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-11-23-33-46-47(65-46)34-24-13-10-14-25-35-51(59)62-40-42(64-53(61)37-27-18-15-21-30-44(57)43(56)29-20-12-8-9-19-28-38-55)41-63-52(60)36-26-17-16-22-31-45(58)54-50(67-54)39-49-48(66-49)32-6-4-2/h8,11-12,23,42-50,54-58H,3-7,9-10,13-22,24-41H2,1-2H3/b12-8?,23-11?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:11]=[CH:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:24][CH2:13][CH2:10][CH2:14][CH2:25][CH2:35][C:51](=[O:59])[O:62][CH2:40][CH:42]([CH2:41][O:63][C:52]([CH2:36][CH2:26][CH2:17][CH2:16][CH2:22][CH2:31][CH:45]([CH:54]2[CH:50]([CH2:39][CH:49]3[CH:48]([CH2:32][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)[OH:58])=[O:60])[O:64][C:53]([CH2:37][CH2:27][CH2:18][CH2:15][CH2:21][CH2:30][CH:44]([CH:43]([CH2:29][CH2:20][CH:12]=[CH:8][CH2:9][CH2:19][CH2:28][CH2:38][OH:55])[OH:56])[OH:57])=[O:61])[O:65]1 |
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