| Properties | Image |
|---|
| MNX_ID | MNXM1176166 |
 |
| reference | envipathM:...2e9d3e203856 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | IVAJWWDVOYQMON-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-30-38-49(58)64-42(40-62-48(57)37-29-22-17-19-26-34-44-45(65-44)35-27-20-18-23-31-39-55)41-63-54(61)50(59)43(56)32-25-24-28-36-47-53(67-47)51(60)52-46(66-52)33-6-4-2/h8-9,20,27,42-47,50-53,55-56,59-60H,3-7,10-19,21-26,28-41H2,1-2H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)C(O)C(O)CCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-30-38-49(58)64-42(40-62-48(57)37-29-22-17-19-26-34-44-45(65-44)35-27-20-18-23-31-39-55)41-63-54(61)50(59)43(56)32-25-24-28-36-47-53(67-47)51(60)52-46(66-52)33-6-4-2/h8-9,20,27,42-47,50-53,55-56,59-60H,3-7,10-19,21-26,28-41H2,1-2H3/b9-8?,27-20?/t42?,43?,44?,45?,46?,47?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:21][CH2:30][CH2:38][C:49](=[O:58])[O:64][CH:42]([CH2:40][O:62][C:48]([CH2:37][CH2:29][CH2:22][CH2:17][CH2:19][CH2:26][CH2:34][CH:44]1[CH:45]([CH2:35][CH:27]=[CH:20][CH2:18][CH2:23][CH2:31][CH2:39][OH:55])[O:65]1)=[O:57])[CH2:41][O:63][C:54]([CH:50]([CH:43]([CH2:32][CH2:25][CH2:24][CH2:28][CH2:36][CH:47]1[CH:53]([CH:51]([CH:52]2[CH:46]([CH2:33][CH2:6][CH2:4][CH3:2])[O:66]2)[OH:60])[O:67]1)[OH:56])[OH:59])=[O:61] |
|