| Properties | Image |
|---|
| MNX_ID | MNXM1192248 |
 |
| reference | envipathM:...1ac277a1799a |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | OUDUCWTWAFAIIO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-28-37-47(58)65-40(39-64-54(62)42(56)32-25-23-24-27-35-44-43(66-44)34-26-21-11-8-5-2)38-63-46(57)36-30-29-31-41(55)48(59)49(60)52-53(68-52)50(61)51-45(67-51)33-9-6-3/h12-13,15-16,21,26,40-45,48-53,55-56,59-61H,4-11,14,17-20,22-25,27-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCC(O)C(O)C(O)C1OC1C(O)C1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-28-37-47(58)65-40(39-64-54(62)42(56)32-25-23-24-27-35-44-43(66-44)34-26-21-11-8-5-2)38-63-46(57)36-30-29-31-41(55)48(59)49(60)52-53(68-52)50(61)51-45(67-51)33-9-6-3/h12-13,15-16,21,26,40-45,48-53,55-56,59-61H,4-11,14,17-20,22-25,27-39H2,1-3H3/b13-12?,16-15?,26-21?/t40?,41?,42?,43?,44?,45?,48?,49?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:28][CH2:37][C:47](=[O:58])[O:65][CH:40]([CH2:38][O:63][C:46]([CH2:36][CH2:30][CH2:29][CH2:31][CH:41]([CH:48]([CH:49]([CH:52]1[CH:53]([CH:50]([CH:51]2[CH:45]([CH2:33][CH2:9][CH2:6][CH3:3])[O:67]2)[OH:61])[O:68]1)[OH:60])[OH:59])[OH:55])=[O:57])[CH2:39][O:64][C:54]([CH:42]([CH2:32][CH2:25][CH2:23][CH2:24][CH2:27][CH2:35][CH:44]1[CH:43]([CH2:34][CH:26]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:56])=[O:62] |
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