| Properties | Image |
|---|
| MNX_ID | MNXM1188771 |
 |
| reference | envipathM:...12d47f74620e |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | WANOABVWOSEXBP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-32-39-52(61)66-43(41-64-51(60)38-31-26-24-28-35-46(57)53(62)45(56)34-27-21-11-8-5-2)42-65-54(63)47(58)36-29-23-25-30-37-49-50(67-49)40-48(59)44(55)33-9-6-3/h12-13,15-16,21,27,43-45,47-50,53,55-56,58-59,62H,4-11,14,17-20,22-26,28-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(=O)C(O)C(O)CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-32-39-52(61)66-43(41-64-51(60)38-31-26-24-28-35-46(57)53(62)45(56)34-27-21-11-8-5-2)42-65-54(63)47(58)36-29-23-25-30-37-49-50(67-49)40-48(59)44(55)33-9-6-3/h12-13,15-16,21,27,43-45,47-50,53,55-56,58-59,62H,4-11,14,17-20,22-26,28-42H2,1-3H3/b13-12?,16-15?,27-21?/t43?,44?,45?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:32][CH2:39][C:52](=[O:61])[O:66][CH:43]([CH2:41][O:64][C:51]([CH2:38][CH2:31][CH2:26][CH2:24][CH2:28][CH2:35][C:46]([CH:53]([CH:45]([CH2:34][CH:27]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[OH:62])=[O:57])=[O:60])[CH2:42][O:65][C:54]([CH:47]([CH2:36][CH2:29][CH2:23][CH2:25][CH2:30][CH2:37][CH:49]1[CH:50]([CH2:40][CH:48]([CH:44]([CH2:33][CH2:9][CH2:6][CH3:3])[OH:55])[OH:59])[O:67]1)[OH:58])=[O:63] |
|