| Properties | Image |
|---|
| MNX_ID | MNXM1195731 |
 |
| reference | envipathM:...3162c822e028 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | JZQQKHIYPRVFPC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-6-18-27-34-47-48(67-47)35-28-21-17-23-30-37-51(61)65-41-42(66-54(63)45(58)33-26-19-14-12-10-8-7-9-11-13-15-24-31-38-55)40-64-50(60)36-29-22-16-20-25-32-44(57)46(59)39-49-53(68-49)52(62)43(56)4-2/h7-8,11,13,18,27,42-49,52-53,55-59,62H,3-6,9-10,12,14-17,19-26,28-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1C(O)C(O)CC)OC(=O)C(O)CCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-6-18-27-34-47-48(67-47)35-28-21-17-23-30-37-51(61)65-41-42(66-54(63)45(58)33-26-19-14-12-10-8-7-9-11-13-15-24-31-38-55)40-64-50(60)36-29-22-16-20-25-32-44(57)46(59)39-49-53(68-49)52(62)43(56)4-2/h7-8,11,13,18,27,42-49,52-53,55-59,62H,3-6,9-10,12,14-17,19-26,28-41H2,1-2H3/b8-7?,13-11?,27-18?/t42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:18]=[CH:27][CH2:34][CH:47]1[CH:48]([CH2:35][CH2:28][CH2:21][CH2:17][CH2:23][CH2:30][CH2:37][C:51](=[O:61])[O:65][CH2:41][CH:42]([CH2:40][O:64][C:50]([CH2:36][CH2:29][CH2:22][CH2:16][CH2:20][CH2:25][CH2:32][CH:44]([CH:46]([CH2:39][CH:49]2[CH:53]([CH:52]([CH:43]([CH2:4][CH3:2])[OH:56])[OH:62])[O:68]2)[OH:59])[OH:57])=[O:60])[O:66][C:54]([CH:45]([CH2:33][CH2:26][CH2:19][CH2:14][CH2:12][CH2:10][CH:8]=[CH:7][CH2:9][CH:11]=[CH:13][CH2:15][CH2:24][CH2:31][CH2:38][OH:55])[OH:58])=[O:63])[O:67]1 |
|