| Properties | Image |
|---|
| MNX_ID | MNXM1193507 |
 |
| reference | envipathM:...a855eb6a296c |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | LPRVIQMVAJHBCF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-8-9-10-11-12-13-14-15-17-26-33-46(59)54(63)66-43(40-64-51(61)36-28-19-16-18-24-31-44(57)47(60)38-50-48(67-50)34-6-4-2)41-65-52(62)37-29-21-20-25-32-45(58)53-49(68-53)35-27-22-23-30-42(56)39-55/h8-9,11-12,22,27,42-50,53,55-60H,3-7,10,13-21,23-26,28-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCC(O)C1OC1CC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-8-9-10-11-12-13-14-15-17-26-33-46(59)54(63)66-43(40-64-51(61)36-28-19-16-18-24-31-44(57)47(60)38-50-48(67-50)34-6-4-2)41-65-52(62)37-29-21-20-25-32-45(58)53-49(68-53)35-27-22-23-30-42(56)39-55/h8-9,11-12,22,27,42-50,53,55-60H,3-7,10,13-21,23-26,28-41H2,1-2H3/b9-8?,12-11?,27-22?/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][CH2:26][CH2:33][CH:46]([C:54](=[O:63])[O:66][CH:43]([CH2:40][O:64][C:51]([CH2:36][CH2:28][CH2:19][CH2:16][CH2:18][CH2:24][CH2:31][CH:44]([CH:47]([CH2:38][CH:50]1[CH:48]([CH2:34][CH2:6][CH2:4][CH3:2])[O:67]1)[OH:60])[OH:57])=[O:61])[CH2:41][O:65][C:52]([CH2:37][CH2:29][CH2:21][CH2:20][CH2:25][CH2:32][CH:45]([CH:53]1[CH:49]([CH2:35][CH:27]=[CH:22][CH2:23][CH2:30][CH:42]([CH2:39][OH:55])[OH:56])[O:68]1)[OH:58])=[O:62])[OH:59] |
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