| Properties | Image |
|---|
| MNX_ID | MNXM1195896 |
 |
| reference | envipathM:...99998fb10af0 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | KSAHMACWTBTQIX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-16-24-32-45-46(65-45)33-25-18-14-21-27-35-49(58)62-40-42(64-51(60)37-29-20-13-11-9-8-10-12-17-23-30-43(56)44(57)38-39-55)41-63-50(59)36-28-22-15-19-26-34-48-54(67-48)52(61)53-47(66-53)31-6-4-2/h10,12,16,23-24,30,39,42-48,52-54,56-57,61H,3-9,11,13-15,17-22,25-29,31-38,40-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)C(O)CC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-16-24-32-45-46(65-45)33-25-18-14-21-27-35-49(58)62-40-42(64-51(60)37-29-20-13-11-9-8-10-12-17-23-30-43(56)44(57)38-39-55)41-63-50(59)36-28-22-15-19-26-34-48-54(67-48)52(61)53-47(66-53)31-6-4-2/h10,12,16,23-24,30,39,42-48,52-54,56-57,61H,3-9,11,13-15,17-22,25-29,31-38,40-41H2,1-2H3/b12-10?,24-16?,30-23?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:16]=[CH:24][CH2:32][CH:45]1[CH:46]([CH2:33][CH2:25][CH2:18][CH2:14][CH2:21][CH2:27][CH2:35][C:49](=[O:58])[O:62][CH2:40][CH:42]([CH2:41][O:63][C:50]([CH2:36][CH2:28][CH2:22][CH2:15][CH2:19][CH2:26][CH2:34][CH:48]2[CH:54]([CH:52]([CH:53]3[CH:47]([CH2:31][CH2:6][CH2:4][CH3:2])[O:66]3)[OH:61])[O:67]2)=[O:59])[O:64][C:51]([CH2:37][CH2:29][CH2:20][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:17][CH:23]=[CH:30][CH:43]([CH:44]([CH2:38][CH:39]=[O:55])[OH:57])[OH:56])=[O:60])[O:65]1 |
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