| Properties | Image |
|---|
| MNX_ID | MNXM1171591 |
 |
| reference | envipathM:...144335fb3b79 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | MCAXFNOJYCEAGH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-17-25-32-45(58)54(61)64-43(40-62-51(59)36-28-19-16-18-26-34-46-47(65-46)35-27-22-23-30-42(56)39-55)41-63-52(60)37-29-21-20-24-31-44(57)53-50(67-53)38-49-48(66-49)33-6-4-2/h8-9,11-12,42-50,53,55-58H,3-7,10,13-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCC(O)CO)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-17-25-32-45(58)54(61)64-43(40-62-51(59)36-28-19-16-18-26-34-46-47(65-46)35-27-22-23-30-42(56)39-55)41-63-52(60)37-29-21-20-24-31-44(57)53-50(67-53)38-49-48(66-49)33-6-4-2/h8-9,11-12,42-50,53,55-58H,3-7,10,13-41H2,1-2H3/b9-8?,12-11?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:17][CH2:25][CH2:32][CH:45]([C:54](=[O:61])[O:64][CH:43]([CH2:40][O:62][C:51]([CH2:36][CH2:28][CH2:19][CH2:16][CH2:18][CH2:26][CH2:34][CH:46]1[CH:47]([CH2:35][CH2:27][CH2:22][CH2:23][CH2:30][CH:42]([CH2:39][OH:55])[OH:56])[O:65]1)=[O:59])[CH2:41][O:63][C:52]([CH2:37][CH2:29][CH2:21][CH2:20][CH2:24][CH2:31][CH:44]([CH:53]1[CH:50]([CH2:38][CH:49]2[CH:48]([CH2:33][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)[OH:57])=[O:60])[OH:58] |
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