| Properties | Image |
|---|
| MNX_ID | MNXM1186551 |
 |
| reference | envipathM:...62171b58c17e |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | BWNMDJHMZMVFHY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-29-42(56)31-28-35-47-46(65-47)33-23-16-15-18-25-36-51(59)62-40-43(64-52(60)37-26-17-13-11-9-7-5-6-8-10-12-14-21-27-38-55)41-63-54(61)45(58)32-22-19-20-24-34-48-49(66-48)39-50-53(67-50)44(57)30-4-2/h10,12,28,31,42-50,53,55-58H,3-9,11,13-27,29-30,32-41H2,1-2H3 |
| SMILES | CCCC(O)C=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCCCCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-29-42(56)31-28-35-47-46(65-47)33-23-16-15-18-25-36-51(59)62-40-43(64-52(60)37-26-17-13-11-9-7-5-6-8-10-12-14-21-27-38-55)41-63-54(61)45(58)32-22-19-20-24-34-48-49(66-48)39-50-53(67-50)44(57)30-4-2/h10,12,28,31,42-50,53,55-58H,3-9,11,13-27,29-30,32-41H2,1-2H3/b12-10?,31-28?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:29][CH:42]([CH:31]=[CH:28][CH2:35][CH:47]1[CH:46]([CH2:33][CH2:23][CH2:16][CH2:15][CH2:18][CH2:25][CH2:36][C:51](=[O:59])[O:62][CH2:40][CH:43]([CH2:41][O:63][C:54]([CH:45]([CH2:32][CH2:22][CH2:19][CH2:20][CH2:24][CH2:34][CH:48]2[CH:49]([CH2:39][CH:50]3[CH:53]([CH:44]([CH2:30][CH2:4][CH3:2])[OH:57])[O:67]3)[O:66]2)[OH:58])=[O:61])[O:64][C:52]([CH2:37][CH2:26][CH2:17][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:6][CH2:8][CH:10]=[CH:12][CH2:14][CH2:21][CH2:27][CH2:38][OH:55])=[O:60])[O:65]1)[OH:56] |
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