| Properties | Image |
|---|
| MNX_ID | MNXM1184095 |
 |
| reference | envipathM:...39cd0d25a094 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | SOAHONNSLLYFTQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-8-9-12-21-30-42(56)31-22-16-18-28-38-50(60)64-43(40-62-48(58)36-26-15-10-13-24-34-45-46(65-45)35-25-14-11-20-29-39-55)41-63-49(59)37-27-19-17-23-32-44(57)52-54(67-52)51(61)53-47(66-53)33-6-4-2/h14,21,25,30,42-47,51-57,61H,3-13,15-20,22-24,26-29,31-41H2,1-2H3 |
| SMILES | CCCCCCCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)CCCCCCC(O)C1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-8-9-12-21-30-42(56)31-22-16-18-28-38-50(60)64-43(40-62-48(58)36-26-15-10-13-24-34-45-46(65-45)35-25-14-11-20-29-39-55)41-63-49(59)37-27-19-17-23-32-44(57)52-54(67-52)51(61)53-47(66-53)33-6-4-2/h14,21,25,30,42-47,51-57,61H,3-13,15-20,22-24,26-29,31-41H2,1-2H3/b25-14?,30-21?/t42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:8][CH2:9][CH2:12][CH:21]=[CH:30][CH:42]([CH2:31][CH2:22][CH2:16][CH2:18][CH2:28][CH2:38][C:50](=[O:60])[O:64][CH:43]([CH2:40][O:62][C:48]([CH2:36][CH2:26][CH2:15][CH2:10][CH2:13][CH2:24][CH2:34][CH:45]1[CH:46]([CH2:35][CH:25]=[CH:14][CH2:11][CH2:20][CH2:29][CH2:39][OH:55])[O:65]1)=[O:58])[CH2:41][O:63][C:49]([CH2:37][CH2:27][CH2:19][CH2:17][CH2:23][CH2:32][CH:44]([CH:52]1[CH:54]([CH:51]([CH:53]2[CH:47]([CH2:33][CH2:6][CH2:4][CH3:2])[O:66]2)[OH:61])[O:67]1)[OH:57])=[O:59])[OH:56] |
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