| Properties | Image |
|---|
| MNX_ID | MNXM1195787 |
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| reference | envipathM:...2a0671a516ed |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | DJRFYWSEIMTEKT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-31-38-51(59)65-42(40-63-50(58)37-30-24-20-22-28-35-47-46(66-47)34-27-21-10-8-5-2)41-64-54(62)53(61)44(56)33-26-25-29-36-48-49(67-48)39-45(57)52(60)43(55)32-6-3/h11-12,21,27,42-49,52-53,55-57,60-61H,4-10,13-20,22-26,28-41H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(O)C(O)CCCCCC1OC1CC(O)C(O)C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-31-38-51(59)65-42(40-63-50(58)37-30-24-20-22-28-35-47-46(66-47)34-27-21-10-8-5-2)41-64-54(62)53(61)44(56)33-26-25-29-36-48-49(67-48)39-45(57)52(60)43(55)32-6-3/h11-12,21,27,42-49,52-53,55-57,60-61H,4-10,13-20,22-26,28-41H2,1-3H3/b12-11?,27-21?/t42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:23][CH2:31][CH2:38][C:51](=[O:59])[O:65][CH:42]([CH2:40][O:63][C:50]([CH2:37][CH2:30][CH2:24][CH2:20][CH2:22][CH2:28][CH2:35][CH:47]1[CH:46]([CH2:34][CH:27]=[CH:21][CH2:10][CH2:8][CH2:5][CH3:2])[O:66]1)=[O:58])[CH2:41][O:64][C:54]([CH:53]([CH:44]([CH2:33][CH2:26][CH2:25][CH2:29][CH2:36][CH:48]1[CH:49]([CH2:39][CH:45]([CH:52]([CH:43]([CH2:32][CH2:6][CH3:3])[OH:55])[OH:60])[OH:57])[O:67]1)[OH:56])[OH:61])=[O:62] |
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