| Properties | Image |
|---|
| MNX_ID | MNXM1176314 |
 |
| reference | envipathM:...2226616c3494 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | XWFDEPVKUBHODX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-6-13-21-31-44(57)53(62)45(58)32-22-17-19-25-36-51(60)64-40-43(66-52(61)37-26-15-12-10-8-7-9-11-14-20-30-42(56)29-4-2)41-65-54(63)46(59)33-23-16-18-24-34-47-49(67-47)39-50-48(68-50)35-27-28-38-55/h9,11,13,20-21,30,42-50,53,55-59,62H,3-8,10,12,14-19,22-29,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)C(O)CCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCCO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-6-13-21-31-44(57)53(62)45(58)32-22-17-19-25-36-51(60)64-40-43(66-52(61)37-26-15-12-10-8-7-9-11-14-20-30-42(56)29-4-2)41-65-54(63)46(59)33-23-16-18-24-34-47-49(67-47)39-50-48(68-50)35-27-28-38-55/h9,11,13,20-21,30,42-50,53,55-59,62H,3-8,10,12,14-19,22-29,31-41H2,1-2H3/b11-9?,21-13?,30-20?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:13]=[CH:21][CH2:31][CH:44]([CH:53]([CH:45]([CH2:32][CH2:22][CH2:17][CH2:19][CH2:25][CH2:36][C:51](=[O:60])[O:64][CH2:40][CH:43]([CH2:41][O:65][C:54]([CH:46]([CH2:33][CH2:23][CH2:16][CH2:18][CH2:24][CH2:34][CH:47]1[CH:49]([CH2:39][CH:50]2[CH:48]([CH2:35][CH2:27][CH2:28][CH2:38][OH:55])[O:68]2)[O:67]1)[OH:59])=[O:63])[O:66][C:52]([CH2:37][CH2:26][CH2:15][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:14][CH:20]=[CH:30][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])=[O:61])[OH:58])[OH:62])[OH:57] |
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