| Properties | Image |
|---|
| MNX_ID | MNXM1138315 |
 |
| reference | envipathM:...70b899a13b92 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | FKYZYABFZYJYGE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-17-24-34-46-54(67-46)53(61)52(60)43(56)31-27-28-36-50(58)63-40-42(64-51(59)37-26-20-15-13-11-10-12-14-18-22-30-41(55)29-6-3)39-62-49(57)35-25-21-16-19-23-33-45-48(66-45)38-47-44(65-47)32-8-5-2/h12,14,17,22,24,30,41-48,52-56,60-61H,4-11,13,15-16,18-21,23,25-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)C(O)C(O)CCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-17-24-34-46-54(67-46)53(61)52(60)43(56)31-27-28-36-50(58)63-40-42(64-51(59)37-26-20-15-13-11-10-12-14-18-22-30-41(55)29-6-3)39-62-49(57)35-25-21-16-19-23-33-45-48(66-45)38-47-44(65-47)32-8-5-2/h12,14,17,22,24,30,41-48,52-56,60-61H,4-11,13,15-16,18-21,23,25-29,31-40H2,1-3H3/b14-12?,24-17?,30-22?/t41?,42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:24][CH2:34][CH:46]1[CH:54]([CH:53]([CH:52]([CH:43]([CH2:31][CH2:27][CH2:28][CH2:36][C:50](=[O:58])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:49]([CH2:35][CH2:25][CH2:21][CH2:16][CH2:19][CH2:23][CH2:33][CH:45]2[CH:48]([CH2:38][CH:47]3[CH:44]([CH2:32][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)=[O:57])[O:64][C:51]([CH2:37][CH2:26][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH:22]=[CH:30][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])=[O:59])[OH:56])[OH:60])[OH:61])[O:67]1 |
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