| Properties | Image |
|---|
| MNX_ID | MNXM1194193 |
 |
| reference | envipathM:...67eba405a882 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | FFXPERXFMGRVEP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-33-47-52(66-47)51(60)53-48(67-53)35-24-20-19-22-32-44(57)54(61)63-40-43(64-50(59)38-26-17-13-11-9-8-10-12-15-21-30-41(55)28-5-2)39-62-49(58)37-25-18-14-16-23-34-45-46(65-45)36-27-31-42(56)29-6-3/h10,12,21,27,30-31,41,43-48,51-53,55,57,60H,4-9,11,13-20,22-26,28-29,32-40H2,1-3H3 |
| SMILES | CCCCC1OC1C(O)C1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(=O)CCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-33-47-52(66-47)51(60)53-48(67-53)35-24-20-19-22-32-44(57)54(61)63-40-43(64-50(59)38-26-17-13-11-9-8-10-12-15-21-30-41(55)28-5-2)39-62-49(58)37-25-18-14-16-23-34-45-46(65-45)36-27-31-42(56)29-6-3/h10,12,21,27,30-31,41,43-48,51-53,55,57,60H,4-9,11,13-20,22-26,28-29,32-40H2,1-3H3/b12-10?,30-21?,31-27?/t41?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:33][CH:47]1[CH:52]([CH:51]([CH:53]2[CH:48]([CH2:35][CH2:24][CH2:20][CH2:19][CH2:22][CH2:32][CH:44]([C:54](=[O:61])[O:63][CH2:40][CH:43]([CH2:39][O:62][C:49]([CH2:37][CH2:25][CH2:18][CH2:14][CH2:16][CH2:23][CH2:34][CH:45]3[CH:46]([CH2:36][CH:27]=[CH:31][C:42]([CH2:29][CH2:6][CH3:3])=[O:56])[O:65]3)=[O:58])[O:64][C:50]([CH2:38][CH2:26][CH2:17][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:15][CH:21]=[CH:30][CH:41]([CH2:28][CH2:5][CH3:2])[OH:55])=[O:59])[OH:57])[O:67]2)[OH:60])[O:66]1 |
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