| Properties | Image |
|---|
| MNX_ID | MNXM1139125 |
 |
| reference | envipathM:...b0619e96f106 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | GICTVGWIDQSYFX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-6-7-15-24-32-44-45(66-44)33-26-21-20-23-31-43(57)54(62)64-39-42(65-50(59)36-28-18-13-11-9-8-10-12-16-22-30-41(56)29-5-2)38-63-49(58)35-27-19-14-17-25-34-46-47(67-46)37-48-53(68-48)52(61)51(60)40(3)55/h10,12,15,22,24,30,40-48,51-53,55-57,60-61H,4-9,11,13-14,16-21,23,25-29,31-39H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(O)C(C)O)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-6-7-15-24-32-44-45(66-44)33-26-21-20-23-31-43(57)54(62)64-39-42(65-50(59)36-28-18-13-11-9-8-10-12-16-22-30-41(56)29-5-2)38-63-49(58)35-27-19-14-17-25-34-46-47(67-46)37-48-53(68-48)52(61)51(60)40(3)55/h10,12,15,22,24,30,40-48,51-53,55-57,60-61H,4-9,11,13-14,16-21,23,25-29,31-39H2,1-3H3/b12-10?,24-15?,30-22?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:7][CH:15]=[CH:24][CH2:32][CH:44]1[CH:45]([CH2:33][CH2:26][CH2:21][CH2:20][CH2:23][CH2:31][CH:43]([C:54](=[O:62])[O:64][CH2:39][CH:42]([CH2:38][O:63][C:49]([CH2:35][CH2:27][CH2:19][CH2:14][CH2:17][CH2:25][CH2:34][CH:46]2[CH:47]([CH2:37][CH:48]3[CH:53]([CH:52]([CH:51]([CH:40]([CH3:3])[OH:55])[OH:60])[OH:61])[O:68]3)[O:67]2)=[O:58])[O:65][C:50]([CH2:36][CH2:28][CH2:18][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:16][CH:22]=[CH:30][CH:41]([CH2:29][CH2:5][CH3:2])[OH:56])=[O:59])[OH:57])[O:66]1 |
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