| Properties | Image |
|---|
| MNX_ID | MNXM1187209 |
 |
| reference | envipathM:...b860824047a5 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | GNSRIESAQWCSPO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-10-11-13-20-28-40(55)29-21-16-18-26-37-50(61)65-41(38-63-48(59)35-24-15-12-14-23-33-45-46(66-45)34-27-31-43(57)42(56)6-3)39-64-49(60)36-25-19-17-22-30-44(58)52-54(68-52)51(62)53-47(67-53)32-8-5-2/h10-11,20,27-28,31,40-47,51-58,62H,4-9,12-19,21-26,29-30,32-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(O)CC)COC(=O)CCCCCCC(O)C1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-10-11-13-20-28-40(55)29-21-16-18-26-37-50(61)65-41(38-63-48(59)35-24-15-12-14-23-33-45-46(66-45)34-27-31-43(57)42(56)6-3)39-64-49(60)36-25-19-17-22-30-44(58)52-54(68-52)51(62)53-47(67-53)32-8-5-2/h10-11,20,27-28,31,40-47,51-58,62H,4-9,12-19,21-26,29-30,32-39H2,1-3H3/b11-10?,28-20?,31-27?/t40?,41?,42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:13][CH:20]=[CH:28][CH:40]([CH2:29][CH2:21][CH2:16][CH2:18][CH2:26][CH2:37][C:50](=[O:61])[O:65][CH:41]([CH2:38][O:63][C:48]([CH2:35][CH2:24][CH2:15][CH2:12][CH2:14][CH2:23][CH2:33][CH:45]1[CH:46]([CH2:34][CH:27]=[CH:31][CH:43]([CH:42]([CH2:6][CH3:3])[OH:56])[OH:57])[O:66]1)=[O:59])[CH2:39][O:64][C:49]([CH2:36][CH2:25][CH2:19][CH2:17][CH2:22][CH2:30][CH:44]([CH:52]1[CH:54]([CH:51]([CH:53]2[CH:47]([CH2:32][CH2:8][CH2:5][CH3:2])[O:67]2)[OH:62])[O:68]1)[OH:58])=[O:60])[OH:55] |
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