| Properties | Image |
|---|
| MNX_ID | MNXM1173716 |
 |
| reference | envipathM:...1bb175a2bb2f |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | PTUOTKPEVHNJBI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-31-46-52(67-46)50(61)53-47(68-53)33-25-21-20-23-30-44(58)54(62)64-40-42(65-49(60)35-27-18-14-12-10-8-6-7-9-11-13-15-22-28-38-55)39-63-48(59)34-26-19-16-17-24-32-45-51(66-45)43(57)37-36-41(56)29-4-2/h6-7,11,13,36-37,41-47,50-53,55-58,61H,3-5,8-10,12,14-35,38-40H2,1-2H3 |
| SMILES | CCCCC1OC1C(O)C1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-31-46-52(67-46)50(61)53-47(68-53)33-25-21-20-23-30-44(58)54(62)64-40-42(65-49(60)35-27-18-14-12-10-8-6-7-9-11-13-15-22-28-38-55)39-63-48(59)34-26-19-16-17-24-32-45-51(66-45)43(57)37-36-41(56)29-4-2/h6-7,11,13,36-37,41-47,50-53,55-58,61H,3-5,8-10,12,14-35,38-40H2,1-2H3/b7-6?,13-11?,37-36?/t41?,42?,43?,44?,45?,46?,47?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:31][CH:46]1[CH:52]([CH:50]([CH:53]2[CH:47]([CH2:33][CH2:25][CH2:21][CH2:20][CH2:23][CH2:30][CH:44]([C:54](=[O:62])[O:64][CH2:40][CH:42]([CH2:39][O:63][C:48]([CH2:34][CH2:26][CH2:19][CH2:16][CH2:17][CH2:24][CH2:32][CH:45]3[CH:51]([CH:43]([CH:37]=[CH:36][CH:41]([CH2:29][CH2:4][CH3:2])[OH:56])[OH:57])[O:66]3)=[O:59])[O:65][C:49]([CH2:35][CH2:27][CH2:18][CH2:14][CH2:12][CH2:10][CH2:8][CH:6]=[CH:7][CH2:9][CH:11]=[CH:13][CH2:15][CH2:22][CH2:28][CH2:38][OH:55])=[O:60])[OH:58])[O:68]2)[OH:61])[O:67]1 |
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