| Properties | Image |
|---|
| MNX_ID | MNXM1196323 |
 |
| reference | envipathM:...e42513adfffe |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | LGFCCQKONCMYCL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-8-14-22-31-47-48(66-47)32-23-16-12-19-25-34-51(59)63-40-44(65-53(61)36-27-18-11-9-10-15-21-30-43(56)38-37-42(55)28-5-2)41-64-52(60)35-26-20-13-17-24-33-49-50(67-49)39-46(58)54(62)45(57)29-6-3/h14,21-22,30,42-50,54-58,62H,4-13,15-20,23-29,31-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)C(O)CCC)OC(=O)CCCCCCCC=CC(O)CCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-8-14-22-31-47-48(66-47)32-23-16-12-19-25-34-51(59)63-40-44(65-53(61)36-27-18-11-9-10-15-21-30-43(56)38-37-42(55)28-5-2)41-64-52(60)35-26-20-13-17-24-33-49-50(67-49)39-46(58)54(62)45(57)29-6-3/h14,21-22,30,42-50,54-58,62H,4-13,15-20,23-29,31-41H2,1-3H3/b22-14?,30-21?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:14]=[CH:22][CH2:31][CH:47]1[CH:48]([CH2:32][CH2:23][CH2:16][CH2:12][CH2:19][CH2:25][CH2:34][C:51](=[O:59])[O:63][CH2:40][CH:44]([CH2:41][O:64][C:52]([CH2:35][CH2:26][CH2:20][CH2:13][CH2:17][CH2:24][CH2:33][CH:49]2[CH:50]([CH2:39][CH:46]([CH:54]([CH:45]([CH2:29][CH2:6][CH3:3])[OH:57])[OH:62])[OH:58])[O:67]2)=[O:60])[O:65][C:53]([CH2:36][CH2:27][CH2:18][CH2:11][CH2:9][CH2:10][CH2:15][CH:21]=[CH:30][CH:43]([CH2:38][CH2:37][CH:42]([CH2:28][CH2:5][CH3:2])[OH:55])[OH:56])=[O:61])[O:66]1 |
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