| Properties | Image |
|---|
| MNX_ID | MNXM1178472 |
 |
| reference | envipathM:...14030de2593a |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | DUDUXQWGWLMYCL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-30-45-47(66-45)38-48-54(68-48)52(62)43(57)29-22-21-26-33-50(60)64-40-42(65-51(61)34-25-18-14-12-10-8-6-7-9-11-13-15-20-27-37-55)39-63-49(59)32-24-19-16-17-23-31-46-53(67-46)44(58)36-35-41(56)28-4-2/h6-7,11,13,35-36,41-48,52-58,62H,3-5,8-10,12,14-34,37-40H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1C(O)C(O)CCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-30-45-47(66-45)38-48-54(68-48)52(62)43(57)29-22-21-26-33-50(60)64-40-42(65-51(61)34-25-18-14-12-10-8-6-7-9-11-13-15-20-27-37-55)39-63-49(59)32-24-19-16-17-23-31-46-53(67-46)44(58)36-35-41(56)28-4-2/h6-7,11,13,35-36,41-48,52-58,62H,3-5,8-10,12,14-34,37-40H2,1-2H3/b7-6?,13-11?,36-35?/t41?,42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:30][CH:45]1[CH:47]([CH2:38][CH:48]2[CH:54]([CH:52]([CH:43]([CH2:29][CH2:22][CH2:21][CH2:26][CH2:33][C:50](=[O:60])[O:64][CH2:40][CH:42]([CH2:39][O:63][C:49]([CH2:32][CH2:24][CH2:19][CH2:16][CH2:17][CH2:23][CH2:31][CH:46]3[CH:53]([CH:44]([CH:36]=[CH:35][CH:41]([CH2:28][CH2:4][CH3:2])[OH:56])[OH:58])[O:67]3)=[O:59])[O:65][C:51]([CH2:34][CH2:25][CH2:18][CH2:14][CH2:12][CH2:10][CH2:8][CH:6]=[CH:7][CH2:9][CH:11]=[CH:13][CH2:15][CH2:20][CH2:27][CH2:37][OH:55])=[O:61])[OH:57])[OH:62])[O:68]2)[O:66]1 |
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