| Properties | Image |
|---|
| MNX_ID | MNXM1172888 |
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| reference | envipathM:...37ace3264b16 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | RSPPZOYZGZXTIS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-16-22-31-43(55)44(56)32-24-21-29-38-53(61)65-42(40-63-52(60)37-28-18-14-17-26-35-49-48(66-49)34-25-15-11-8-5-2)41-64-54(62)46(58)33-23-19-20-27-36-50-51(67-50)39-47(59)45(57)30-9-6-3/h12-13,15,22,25,31,42-44,46-51,55-56,58-59H,4-11,14,16-21,23-24,26-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)C(O)CCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC(O)C(=O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-16-22-31-43(55)44(56)32-24-21-29-38-53(61)65-42(40-63-52(60)37-28-18-14-17-26-35-49-48(66-49)34-25-15-11-8-5-2)41-64-54(62)46(58)33-23-19-20-27-36-50-51(67-50)39-47(59)45(57)30-9-6-3/h12-13,15,22,25,31,42-44,46-51,55-56,58-59H,4-11,14,16-21,23-24,26-30,32-41H2,1-3H3/b13-12?,25-15?,31-22?/t42?,43?,44?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH:22]=[CH:31][CH:43]([CH:44]([CH2:32][CH2:24][CH2:21][CH2:29][CH2:38][C:53](=[O:61])[O:65][CH:42]([CH2:40][O:63][C:52]([CH2:37][CH2:28][CH2:18][CH2:14][CH2:17][CH2:26][CH2:35][CH:49]1[CH:48]([CH2:34][CH:25]=[CH:15][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)=[O:60])[CH2:41][O:64][C:54]([CH:46]([CH2:33][CH2:23][CH2:19][CH2:20][CH2:27][CH2:36][CH:50]1[CH:51]([CH2:39][CH:47]([C:45]([CH2:30][CH2:9][CH2:6][CH3:3])=[O:57])[OH:59])[O:67]1)[OH:58])=[O:62])[OH:56])[OH:55] |
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