| Properties | Image |
|---|
| MNX_ID | MNXM1171867 |
 |
| reference | envipathM:...39dda9d42941 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | FFMJGAZLVOWTQK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-16-23-33-44-45(66-44)34-24-19-15-20-25-36-50(58)63-38-41(65-53(61)43(57)31-22-18-14-12-10-11-13-17-21-29-40(55)28-6-3)39-64-54(62)52(60)51(59)42(56)30-26-27-35-47-49(68-47)37-48-46(67-48)32-8-5-2/h11,13,16,21,23,29,40-49,51-52,55-57,59-60H,4-10,12,14-15,17-20,22,24-28,30-39H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)C(O)C(O)CCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-16-23-33-44-45(66-44)34-24-19-15-20-25-36-50(58)63-38-41(65-53(61)43(57)31-22-18-14-12-10-11-13-17-21-29-40(55)28-6-3)39-64-54(62)52(60)51(59)42(56)30-26-27-35-47-49(68-47)37-48-46(67-48)32-8-5-2/h11,13,16,21,23,29,40-49,51-52,55-57,59-60H,4-10,12,14-15,17-20,22,24-28,30-39H2,1-3H3/b13-11?,23-16?,29-21?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,51?,52? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:16]=[CH:23][CH2:33][CH:44]1[CH:45]([CH2:34][CH2:24][CH2:19][CH2:15][CH2:20][CH2:25][CH2:36][C:50](=[O:58])[O:63][CH2:38][CH:41]([CH2:39][O:64][C:54]([CH:52]([CH:51]([CH:42]([CH2:30][CH2:26][CH2:27][CH2:35][CH:47]2[CH:49]([CH2:37][CH:48]3[CH:46]([CH2:32][CH2:8][CH2:5][CH3:2])[O:67]3)[O:68]2)[OH:56])[OH:59])[OH:60])=[O:62])[O:65][C:53]([CH:43]([CH2:31][CH2:22][CH2:18][CH2:14][CH2:12][CH2:10][CH:11]=[CH:13][CH2:17][CH:21]=[CH:29][CH:40]([CH2:28][CH2:6][CH3:3])[OH:55])[OH:57])=[O:61])[O:66]1 |
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