| Properties | Image |
|---|
| MNX_ID | MNXM1192095 |
 |
| reference | envipathM:...f7fb980a2b33 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | LPRLMSFEOKRCQE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-10-11-13-20-29-43(56)30-21-16-18-26-38-53(62)65-44(40-63-51(60)36-24-15-12-14-22-32-45(57)46(58)34-27-31-42(55)28-6-3)41-64-52(61)37-25-19-17-23-33-47(59)54-50(67-54)39-49-48(66-49)35-8-5-2/h10-11,20,27,29,31,42-45,47-50,54-57,59H,4-9,12-19,21-26,28,30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(=O)CC=CC(O)CCC)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-10-11-13-20-29-43(56)30-21-16-18-26-38-53(62)65-44(40-63-51(60)36-24-15-12-14-22-32-45(57)46(58)34-27-31-42(55)28-6-3)41-64-52(61)37-25-19-17-23-33-47(59)54-50(67-54)39-49-48(66-49)35-8-5-2/h10-11,20,27,29,31,42-45,47-50,54-57,59H,4-9,12-19,21-26,28,30,32-41H2,1-3H3/b11-10?,29-20?,31-27?/t42?,43?,44?,45?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:13][CH:20]=[CH:29][CH:43]([CH2:30][CH2:21][CH2:16][CH2:18][CH2:26][CH2:38][C:53](=[O:62])[O:65][CH:44]([CH2:40][O:63][C:51]([CH2:36][CH2:24][CH2:15][CH2:12][CH2:14][CH2:22][CH2:32][CH:45]([C:46]([CH2:34][CH:27]=[CH:31][CH:42]([CH2:28][CH2:6][CH3:3])[OH:55])=[O:58])[OH:57])=[O:60])[CH2:41][O:64][C:52]([CH2:37][CH2:25][CH2:19][CH2:17][CH2:23][CH2:33][CH:47]([CH:54]1[CH:50]([CH2:39][CH:49]2[CH:48]([CH2:35][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)[OH:59])=[O:61])[OH:56] |
|