| Properties | Image |
|---|
| MNX_ID | MNXM1171360 |
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| reference | envipathM:...29d530729bd6 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | GLFAFMAYLMWCQF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-6-8-11-21-31-45-46(66-45)32-22-12-9-14-24-34-51(59)63-38-41(39-64-52(60)35-25-15-10-13-23-33-48-50(68-48)37-49-47(67-49)30-7-5-2)65-53(61)36-26-17-19-28-43(57)42(56)27-18-16-20-29-44(58)54(62)40(3)55/h11,18,20-21,27,29,40-50,54-58,62H,4-10,12-17,19,22-26,28,30-39H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCC(O)C(O)C=CCC=CC(O)C(O)C(C)O |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-6-8-11-21-31-45-46(66-45)32-22-12-9-14-24-34-51(59)63-38-41(39-64-52(60)35-25-15-10-13-23-33-48-50(68-48)37-49-47(67-49)30-7-5-2)65-53(61)36-26-17-19-28-43(57)42(56)27-18-16-20-29-44(58)54(62)40(3)55/h11,18,20-21,27,29,40-50,54-58,62H,4-10,12-17,19,22-26,28,30-39H2,1-3H3/b21-11?,27-18?,29-20?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:11]=[CH:21][CH2:31][CH:45]1[CH:46]([CH2:32][CH2:22][CH2:12][CH2:9][CH2:14][CH2:24][CH2:34][C:51](=[O:59])[O:63][CH2:38][CH:41]([CH2:39][O:64][C:52]([CH2:35][CH2:25][CH2:15][CH2:10][CH2:13][CH2:23][CH2:33][CH:48]2[CH:50]([CH2:37][CH:49]3[CH:47]([CH2:30][CH2:7][CH2:5][CH3:2])[O:67]3)[O:68]2)=[O:60])[O:65][C:53]([CH2:36][CH2:26][CH2:17][CH2:19][CH2:28][CH:43]([CH:42]([CH:27]=[CH:18][CH2:16][CH:20]=[CH:29][CH:44]([CH:54]([CH:40]([CH3:3])[OH:55])[OH:62])[OH:58])[OH:56])[OH:57])=[O:61])[O:66]1 |
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