| Properties | Image |
|---|
| MNX_ID | MNXM1173687 |
 |
| reference | envipathM:...7554e2a0c7ca |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | XIAWAXKLKZMSFZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-34-46-53(67-46)52(63)54-47(68-54)35-25-16-13-19-27-37-49(60)65-41-43(66-50(61)38-28-17-11-9-7-6-8-10-14-22-31-42(56)30-4-2)40-64-48(59)36-26-18-12-15-23-32-44(57)51(62)45(58)33-24-20-21-29-39-55/h8,10,22,24,31,33,42-47,51-58,62-63H,3-7,9,11-21,23,25-30,32,34-41H2,1-2H3 |
| SMILES | CCCCC1OC1C(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)C(O)C=CCCCCO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-34-46-53(67-46)52(63)54-47(68-54)35-25-16-13-19-27-37-49(60)65-41-43(66-50(61)38-28-17-11-9-7-6-8-10-14-22-31-42(56)30-4-2)40-64-48(59)36-26-18-12-15-23-32-44(57)51(62)45(58)33-24-20-21-29-39-55/h8,10,22,24,31,33,42-47,51-58,62-63H,3-7,9,11-21,23,25-30,32,34-41H2,1-2H3/b10-8?,31-22?,33-24?/t42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:34][CH:46]1[CH:53]([CH:52]([CH:54]2[CH:47]([CH2:35][CH2:25][CH2:16][CH2:13][CH2:19][CH2:27][CH2:37][C:49](=[O:60])[O:65][CH2:41][CH:43]([CH2:40][O:64][C:48]([CH2:36][CH2:26][CH2:18][CH2:12][CH2:15][CH2:23][CH2:32][CH:44]([CH:51]([CH:45]([CH:33]=[CH:24][CH2:20][CH2:21][CH2:29][CH2:39][OH:55])[OH:58])[OH:62])[OH:57])=[O:59])[O:66][C:50]([CH2:38][CH2:28][CH2:17][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:14][CH:22]=[CH:31][CH:42]([CH2:30][CH2:4][CH3:2])[OH:56])=[O:61])[O:68]2)[OH:63])[O:67]1 |
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