| Properties | Image |
|---|
| MNX_ID | MNXM1190361 |
 |
| reference | envipathM:...256c038b4379 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | NKUNOUOJPYTQQB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-30-37-50(58)64-41(39-62-53(60)44(57)33-27-23-26-32-43(56)52-47(67-52)36-28-21-11-8-5-2)40-63-54(61)51(59)42(55)31-25-24-29-35-46-49(66-46)38-48-45(65-48)34-9-6-3/h12-13,15-16,21,28,41-49,52,55-57H,4-11,14,17-20,22-27,29-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)C(=O)C(O)CCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCC(O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-30-37-50(58)64-41(39-62-53(60)44(57)33-27-23-26-32-43(56)52-47(67-52)36-28-21-11-8-5-2)40-63-54(61)51(59)42(55)31-25-24-29-35-46-49(66-46)38-48-45(65-48)34-9-6-3/h12-13,15-16,21,28,41-49,52,55-57H,4-11,14,17-20,22-27,29-40H2,1-3H3/b13-12?,16-15?,28-21?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52? |
 |
| 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][CH2:30][CH2:37][C:50](=[O:58])[O:64][CH:41]([CH2:39][O:62][C:53]([CH:44]([CH2:33][CH2:27][CH2:23][CH2:26][CH2:32][CH:43]([CH:52]1[CH:47]([CH2:36][CH:28]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:67]1)[OH:56])[OH:57])=[O:60])[CH2:40][O:63][C:54]([C:51]([CH:42]([CH2:31][CH2:25][CH2:24][CH2:29][CH2:35][CH:46]1[CH:49]([CH2:38][CH:48]2[CH:45]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)[OH:55])=[O:59])=[O:61] |
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