| Properties | Image |
|---|
| MNX_ID | MNXM1189132 |
 |
| reference | envipathM:...575f37d09bb9 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | WGPAYBCOVXEEEA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-10-11-12-13-14-15-16-19-25-33-44(57)51(61)54(63)66-42(40-65-49(59)38-28-23-18-21-26-35-45-46(67-45)36-29-31-41(55)30-6-3)39-64-48(58)37-27-22-17-20-24-32-43(56)50(60)52(62)53-47(68-53)34-8-5-2/h10-11,13-14,29,31,41-47,50-53,55-57,60-62H,4-9,12,15-28,30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C1OC1CCCC)COC(=O)CCCCCCCC1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-10-11-12-13-14-15-16-19-25-33-44(57)51(61)54(63)66-42(40-65-49(59)38-28-23-18-21-26-35-45-46(67-45)36-29-31-41(55)30-6-3)39-64-48(58)37-27-22-17-20-24-32-43(56)50(60)52(62)53-47(68-53)34-8-5-2/h10-11,13-14,29,31,41-47,50-53,55-57,60-62H,4-9,12,15-28,30,32-40H2,1-3H3/b11-10?,14-13?,31-29?/t41?,42?,43?,44?,45?,46?,47?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:19][CH2:25][CH2:33][CH:44]([CH:51]([C:54](=[O:63])[O:66][CH:42]([CH2:39][O:64][C:48]([CH2:37][CH2:27][CH2:22][CH2:17][CH2:20][CH2:24][CH2:32][CH:43]([CH:50]([CH:52]([CH:53]1[CH:47]([CH2:34][CH2:8][CH2:5][CH3:2])[O:68]1)[OH:62])[OH:60])[OH:56])=[O:58])[CH2:40][O:65][C:49]([CH2:38][CH2:28][CH2:23][CH2:18][CH2:21][CH2:26][CH2:35][CH:45]1[CH:46]([CH2:36][CH:29]=[CH:31][CH:41]([CH2:30][CH2:6][CH3:3])[OH:55])[O:67]1)=[O:59])[OH:61])[OH:57] |
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