| Properties | Image |
|---|
| MNX_ID | MNXM1171800 |
 |
| reference | envipathM:...35690fd555a6 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | JTKMVOAUXJSAQO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30-38-53(62)65-44(41-63-51(60)36-28-20-17-18-25-32-45(57)46(58)33-27-23-24-31-43(56)40-55)42-64-52(61)37-29-22-21-26-34-47(59)54-50(67-54)39-49-48(66-49)35-6-4-2/h8-9,11-12,23,27,43-46,48-50,54-58H,3-7,10,13-22,24-26,28-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCC(O)CO)COC(=O)CCCCCCC(=O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30-38-53(62)65-44(41-63-51(60)36-28-20-17-18-25-32-45(57)46(58)33-27-23-24-31-43(56)40-55)42-64-52(61)37-29-22-21-26-34-47(59)54-50(67-54)39-49-48(66-49)35-6-4-2/h8-9,11-12,23,27,43-46,48-50,54-58H,3-7,10,13-22,24-26,28-42H2,1-2H3/b9-8?,12-11?,27-23?/t43?,44?,45?,46?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:30][CH2:38][C:53](=[O:62])[O:65][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:28][CH2:20][CH2:17][CH2:18][CH2:25][CH2:32][CH:45]([CH:46]([CH2:33][CH:27]=[CH:23][CH2:24][CH2:31][CH:43]([CH2:40][OH:55])[OH:56])[OH:58])[OH:57])=[O:60])[CH2:42][O:64][C:52]([CH2:37][CH2:29][CH2:22][CH2:21][CH2:26][CH2:34][C:47]([CH:54]1[CH:50]([CH2:39][CH:49]2[CH:48]([CH2:35][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:59])=[O:61] |
|