| Properties | Image |
|---|
| MNX_ID | MNXM1196999 |
 |
| reference | envipathM:...a063bf071113 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | PDAPSNVAFJENGP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-8-11-20-29-43(56)44(57)30-21-16-18-27-37-53(60)64-42(40-62-52(59)36-26-14-9-12-24-35-49-51(67-49)39-50-48(66-50)32-6-4-2)41-63-54(61)45(58)31-22-15-17-25-34-47-46(65-47)33-23-13-10-19-28-38-55/h8,11,13,23,42-51,55-58H,3-7,9-10,12,14-22,24-41H2,1-2H3 |
| SMILES | CCCCC=CCCC(O)C(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-8-11-20-29-43(56)44(57)30-21-16-18-27-37-53(60)64-42(40-62-52(59)36-26-14-9-12-24-35-49-51(67-49)39-50-48(66-50)32-6-4-2)41-63-54(61)45(58)31-22-15-17-25-34-47-46(65-47)33-23-13-10-19-28-38-55/h8,11,13,23,42-51,55-58H,3-7,9-10,12,14-22,24-41H2,1-2H3/b11-8?,23-13?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:11][CH2:20][CH2:29][CH:43]([CH:44]([CH2:30][CH2:21][CH2:16][CH2:18][CH2:27][CH2:37][C:53](=[O:60])[O:64][CH:42]([CH2:40][O:62][C:52]([CH2:36][CH2:26][CH2:14][CH2:9][CH2:12][CH2:24][CH2:35][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:32][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:59])[CH2:41][O:63][C:54]([CH:45]([CH2:31][CH2:22][CH2:15][CH2:17][CH2:25][CH2:34][CH:47]1[CH:46]([CH2:33][CH:23]=[CH:13][CH2:10][CH2:19][CH2:28][CH2:38][OH:55])[O:65]1)[OH:58])=[O:61])[OH:57])[OH:56] |
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