| Properties | Image |
|---|
| MNX_ID | MNXM1221949 |
 |
| reference | envipathM:...2959a87d90b1 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | QVEBQVZVPLGCJM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-10-11-12-13-14-15-16-17-22-30-42(56)51(60)54(62)65-41(38-63-50(59)36-26-21-19-23-31-43(57)52-47(68-52)35-27-29-40(55)28-6-3)39-64-53(61)44(58)32-24-18-20-25-34-46-49(67-46)37-48-45(66-48)33-8-5-2/h10-11,13-14,27,29,40-49,51-52,55-58,60H,4-9,12,15-26,28,30-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC=CC(O)CCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-10-11-12-13-14-15-16-17-22-30-42(56)51(60)54(62)65-41(38-63-50(59)36-26-21-19-23-31-43(57)52-47(68-52)35-27-29-40(55)28-6-3)39-64-53(61)44(58)32-24-18-20-25-34-46-49(67-46)37-48-45(66-48)33-8-5-2/h10-11,13-14,27,29,40-49,51-52,55-58,60H,4-9,12,15-26,28,30-39H2,1-3H3/b11-10?,14-13?,29-27?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,51?,52? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:22][CH2:30][CH:42]([CH:51]([C:54](=[O:62])[O:65][CH:41]([CH2:38][O:63][C:50]([CH2:36][CH2:26][CH2:21][CH2:19][CH2:23][CH2:31][CH:43]([CH:52]1[CH:47]([CH2:35][CH:27]=[CH:29][CH:40]([CH2:28][CH2:6][CH3:3])[OH:55])[O:68]1)[OH:57])=[O:59])[CH2:39][O:64][C:53]([CH:44]([CH2:32][CH2:24][CH2:18][CH2:20][CH2:25][CH2:34][CH:46]1[CH:49]([CH2:37][CH:48]2[CH:45]([CH2:33][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)[OH:58])=[O:61])[OH:60])[OH:56] |
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