| Properties | Image |
|---|
| MNX_ID | MNXM1171703 |
 |
| reference | envipathM:...0ae2267194ff |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | OFBMTORNZSGTBM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-30-42(56)31-22-14-9-7-5-6-8-10-18-28-37-52(61)66-43(40-64-50(59)35-26-19-11-15-23-32-46-47(67-46)33-24-17-13-21-29-38-55)41-65-51(60)36-27-20-12-16-25-34-48-49(68-48)39-45(58)54(63)53(62)44(57)4-2/h7,9,17,22,24,31,42-49,53-58,62-63H,3-6,8,10-16,18-21,23,25-30,32-41H2,1-2H3 |
| SMILES | CCCC(O)C=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)CCCCCCCC1OC1CC(O)C(O)C(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-30-42(56)31-22-14-9-7-5-6-8-10-18-28-37-52(61)66-43(40-64-50(59)35-26-19-11-15-23-32-46-47(67-46)33-24-17-13-21-29-38-55)41-65-51(60)36-27-20-12-16-25-34-48-49(68-48)39-45(58)54(63)53(62)44(57)4-2/h7,9,17,22,24,31,42-49,53-58,62-63H,3-6,8,10-16,18-21,23,25-30,32-41H2,1-2H3/b9-7?,24-17?,31-22?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:30][CH:42]([CH:31]=[CH:22][CH2:14][CH:9]=[CH:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:18][CH2:28][CH2:37][C:52](=[O:61])[O:66][CH:43]([CH2:40][O:64][C:50]([CH2:35][CH2:26][CH2:19][CH2:11][CH2:15][CH2:23][CH2:32][CH:46]1[CH:47]([CH2:33][CH:24]=[CH:17][CH2:13][CH2:21][CH2:29][CH2:38][OH:55])[O:67]1)=[O:59])[CH2:41][O:65][C:51]([CH2:36][CH2:27][CH2:20][CH2:12][CH2:16][CH2:25][CH2:34][CH:48]1[CH:49]([CH2:39][CH:45]([CH:54]([CH:53]([CH:44]([CH2:4][CH3:2])[OH:57])[OH:62])[OH:63])[OH:58])[O:68]1)=[O:60])[OH:56] |
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