| Properties | Image |
|---|
| MNX_ID | MNXM1172894 |
 |
| reference | envipathM:...340ac8c360b9 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | KJLGPVUGWMYDEQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-10-11-13-19-27-40(55)28-20-18-22-30-45(59)54(62)65-41(38-63-52(60)36-25-15-12-14-23-33-46-47(66-46)35-26-31-43(57)42(56)6-3)39-64-53(61)44(58)29-21-16-17-24-34-49-51(68-49)37-50-48(67-50)32-8-5-2/h10-11,19,26-27,31,40-51,55-59H,4-9,12-18,20-25,28-30,32-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(O)CC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-10-11-13-19-27-40(55)28-20-18-22-30-45(59)54(62)65-41(38-63-52(60)36-25-15-12-14-23-33-46-47(66-46)35-26-31-43(57)42(56)6-3)39-64-53(61)44(58)29-21-16-17-24-34-49-51(68-49)37-50-48(67-50)32-8-5-2/h10-11,19,26-27,31,40-51,55-59H,4-9,12-18,20-25,28-30,32-39H2,1-3H3/b11-10?,27-19?,31-26?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:13][CH:19]=[CH:27][CH:40]([CH2:28][CH2:20][CH2:18][CH2:22][CH2:30][CH:45]([C:54](=[O:62])[O:65][CH:41]([CH2:38][O:63][C:52]([CH2:36][CH2:25][CH2:15][CH2:12][CH2:14][CH2:23][CH2:33][CH:46]1[CH:47]([CH2:35][CH:26]=[CH:31][CH:43]([CH:42]([CH2:6][CH3:3])[OH:56])[OH:57])[O:66]1)=[O:60])[CH2:39][O:64][C:53]([CH:44]([CH2:29][CH2:21][CH2:16][CH2:17][CH2:24][CH2:34][CH:49]1[CH:51]([CH2:37][CH:50]2[CH:48]([CH2:32][CH2:8][CH2:5][CH3:2])[O:67]2)[O:68]1)[OH:58])=[O:61])[OH:59])[OH:55] |
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