| Properties | Image |
|---|
| MNX_ID | MNXM1196638 |
 |
| reference | envipathM:...203cfa587a60 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | AWAFXYPLMNFEIP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-33-48-49(66-48)38-50-53(67-50)44(57)31-21-17-19-24-36-51(59)62-39-43(64-52(60)37-25-15-13-11-9-8-10-12-14-20-29-41(55)27-5-2)40-63-54(61)45(58)32-22-16-18-23-34-46-47(65-46)35-26-30-42(56)28-6-3/h10,12,20,29,41-50,53,55-58H,4-9,11,13-19,21-28,30-40H2,1-3H3 |
| SMILES | CCCCC1OC1CC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CCCC(O)CCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-33-48-49(66-48)38-50-53(67-50)44(57)31-21-17-19-24-36-51(59)62-39-43(64-52(60)37-25-15-13-11-9-8-10-12-14-20-29-41(55)27-5-2)40-63-54(61)45(58)32-22-16-18-23-34-46-47(65-46)35-26-30-42(56)28-6-3/h10,12,20,29,41-50,53,55-58H,4-9,11,13-19,21-28,30-40H2,1-3H3/b12-10?,29-20?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:33][CH:48]1[CH:49]([CH2:38][CH:50]2[CH:53]([CH:44]([CH2:31][CH2:21][CH2:17][CH2:19][CH2:24][CH2:36][C:51](=[O:59])[O:62][CH2:39][CH:43]([CH2:40][O:63][C:54]([CH:45]([CH2:32][CH2:22][CH2:16][CH2:18][CH2:23][CH2:34][CH:46]3[CH:47]([CH2:35][CH2:26][CH2:30][CH:42]([CH2:28][CH2:6][CH3:3])[OH:56])[O:65]3)[OH:58])=[O:61])[O:64][C:52]([CH2:37][CH2:25][CH2:15][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:14][CH:20]=[CH:29][CH:41]([CH2:27][CH2:5][CH3:2])[OH:55])=[O:60])[OH:57])[O:67]2)[O:66]1 |
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