| Properties | Image |
|---|
| MNX_ID | MNXM1192354 |
 |
| reference | envipathM:...c6d45c2f0fc0 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | KDPWREXKZAROTR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-32-39-49(59)65-42(40-63-48(58)38-31-25-21-23-28-34-44(56)43(55)33-27-22-11-8-5-2)41-64-54(62)50(60)45(57)35-29-26-30-37-47-53(67-47)51(61)52-46(66-52)36-9-6-3/h12-13,15-16,22,27,42-47,50-53,55-57,60-61H,4-11,14,17-21,23-26,28-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCC)COC(=O)C(O)C(O)CCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-32-39-49(59)65-42(40-63-48(58)38-31-25-21-23-28-34-44(56)43(55)33-27-22-11-8-5-2)41-64-54(62)50(60)45(57)35-29-26-30-37-47-53(67-47)51(61)52-46(66-52)36-9-6-3/h12-13,15-16,22,27,42-47,50-53,55-57,60-61H,4-11,14,17-21,23-26,28-41H2,1-3H3/b13-12?,16-15?,27-22?/t42?,43?,44?,45?,46?,47?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][CH2:32][CH2:39][C:49](=[O:59])[O:65][CH:42]([CH2:40][O:63][C:48]([CH2:38][CH2:31][CH2:25][CH2:21][CH2:23][CH2:28][CH2:34][CH:44]([CH:43]([CH2:33][CH:27]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:58])[CH2:41][O:64][C:54]([CH:50]([CH:45]([CH2:35][CH2:29][CH2:26][CH2:30][CH2:37][CH:47]1[CH:53]([CH:51]([CH:52]2[CH:46]([CH2:36][CH2:9][CH2:6][CH3:3])[O:66]2)[OH:61])[O:67]1)[OH:57])[OH:60])=[O:62] |
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