| Properties | Image |
|---|
| MNX_ID | MNXM1174759 |
 |
| reference | envipathM:...5381e832164b |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | GFOUYPVDQDCPNX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-30-48-50(66-48)38-51-49(67-51)32-22-16-13-19-24-35-53(60)63-41-45(64-54(61)36-25-17-11-9-7-6-8-10-14-20-28-43(57)37-44(58)39-55)40-62-52(59)34-23-18-12-15-21-31-46-47(65-46)33-26-29-42(56)27-4-2/h8,10,20,26,28-29,39,42-51,56-58H,3-7,9,11-19,21-25,27,30-38,40-41H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CC(O)CC(O)C=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-30-48-50(66-48)38-51-49(67-51)32-22-16-13-19-24-35-53(60)63-41-45(64-54(61)36-25-17-11-9-7-6-8-10-14-20-28-43(57)37-44(58)39-55)40-62-52(59)34-23-18-12-15-21-31-46-47(65-46)33-26-29-42(56)27-4-2/h8,10,20,26,28-29,39,42-51,56-58H,3-7,9,11-19,21-25,27,30-38,40-41H2,1-2H3/b10-8?,28-20?,29-26?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:30][CH:48]1[CH:50]([CH2:38][CH:51]2[CH:49]([CH2:32][CH2:22][CH2:16][CH2:13][CH2:19][CH2:24][CH2:35][C:53](=[O:60])[O:63][CH2:41][CH:45]([CH2:40][O:62][C:52]([CH2:34][CH2:23][CH2:18][CH2:12][CH2:15][CH2:21][CH2:31][CH:46]3[CH:47]([CH2:33][CH:26]=[CH:29][CH:42]([CH2:27][CH2:4][CH3:2])[OH:56])[O:65]3)=[O:59])[O:64][C:54]([CH2:36][CH2:25][CH2:17][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:14][CH:20]=[CH:28][CH:43]([CH2:37][CH:44]([CH:39]=[O:55])[OH:58])[OH:57])=[O:61])[O:67]2)[O:66]1 |
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