| Properties | Image |
|---|
| MNX_ID | MNXM1193465 |
 |
| reference | envipathM:...b4d388da0850 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | DTJGKKYOGIELKB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-32-47-53(66-47)52(61)54-48(67-54)34-24-18-15-21-26-37-50(59)63-40-42(64-51(60)38-27-19-13-11-9-8-10-12-16-22-31-44(57)43(56)6-3)39-62-49(58)36-25-20-14-17-23-33-45-46(65-45)35-28-30-41(55)29-5-2/h10,12,22,28,30-31,41-48,53-57H,4-9,11,13-21,23-27,29,32-40H2,1-3H3 |
| SMILES | CCCCC1OC1C(=O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-32-47-53(66-47)52(61)54-48(67-54)34-24-18-15-21-26-37-50(59)63-40-42(64-51(60)38-27-19-13-11-9-8-10-12-16-22-31-44(57)43(56)6-3)39-62-49(58)36-25-20-14-17-23-33-45-46(65-45)35-28-30-41(55)29-5-2/h10,12,22,28,30-31,41-48,53-57H,4-9,11,13-21,23-27,29,32-40H2,1-3H3/b12-10?,30-28?,31-22?/t41?,42?,43?,44?,45?,46?,47?,48?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:32][CH:47]1[CH:53]([C:52]([CH:54]2[CH:48]([CH2:34][CH2:24][CH2:18][CH2:15][CH2:21][CH2:26][CH2:37][C:50](=[O:59])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:49]([CH2:36][CH2:25][CH2:20][CH2:14][CH2:17][CH2:23][CH2:33][CH:45]3[CH:46]([CH2:35][CH:28]=[CH:30][CH:41]([CH2:29][CH2:5][CH3:2])[OH:55])[O:65]3)=[O:58])[O:64][C:51]([CH2:38][CH2:27][CH2:19][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:16][CH:22]=[CH:31][CH:44]([CH:43]([CH2:6][CH3:3])[OH:56])[OH:57])=[O:60])[O:67]2)=[O:61])[O:66]1 |
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