| Properties | Image |
|---|
| MNX_ID | MNXM1176783 |
 |
| reference | envipathM:...8484a13ced29 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | PXSCHSDGSVVTQK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-32-48-49(66-48)38-50-54(67-50)45(58)31-21-18-19-24-36-52(60)63-40-42(64-53(61)37-25-16-12-10-8-9-11-14-20-30-44(57)43(56)28-6-3)39-62-51(59)35-23-17-13-15-22-33-46-47(65-46)34-26-29-41(55)27-5-2/h11,14,26,29,41-50,54-58H,4-10,12-13,15-25,27-28,30-40H2,1-3H3 |
| SMILES | CCCCC1OC1CC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CCCC(O)C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-32-48-49(66-48)38-50-54(67-50)45(58)31-21-18-19-24-36-52(60)63-40-42(64-53(61)37-25-16-12-10-8-9-11-14-20-30-44(57)43(56)28-6-3)39-62-51(59)35-23-17-13-15-22-33-46-47(65-46)34-26-29-41(55)27-5-2/h11,14,26,29,41-50,54-58H,4-10,12-13,15-25,27-28,30-40H2,1-3H3/b14-11?,29-26?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:32][CH:48]1[CH:49]([CH2:38][CH:50]2[CH:54]([CH:45]([CH2:31][CH2:21][CH2:18][CH2:19][CH2:24][CH2:36][C:52](=[O:60])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:51]([CH2:35][CH2:23][CH2:17][CH2:13][CH2:15][CH2:22][CH2:33][CH:46]3[CH:47]([CH2:34][CH:26]=[CH:29][CH:41]([CH2:27][CH2:5][CH3:2])[OH:55])[O:65]3)=[O:59])[O:64][C:53]([CH2:37][CH2:25][CH2:16][CH2:12][CH2:10][CH2:8][CH2:9][CH:11]=[CH:14][CH2:20][CH2:30][CH:44]([CH:43]([CH2:28][CH2:6][CH3:3])[OH:56])[OH:57])=[O:61])[OH:58])[O:67]2)[O:66]1 |
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