| Properties | Image |
|---|
| MNX_ID | MNXM1170213 |
 |
| reference | envipathM:...f152e928bfc7 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | KZVLNFOXFAMKFC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-17-26-34-45-46(65-45)35-27-23-22-25-32-44(57)54(61)63-41-43(64-50(59)38-30-20-15-13-11-9-8-10-12-14-18-24-31-42(56)39-55)40-62-49(58)37-29-21-16-19-28-36-48-53(67-48)51(60)52-47(66-52)33-6-4-2/h8,10,14,17-18,26,42-43,45-48,51-53,55-56,60H,3-7,9,11-13,15-16,19-25,27-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(=O)C(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-17-26-34-45-46(65-45)35-27-23-22-25-32-44(57)54(61)63-41-43(64-50(59)38-30-20-15-13-11-9-8-10-12-14-18-24-31-42(56)39-55)40-62-49(58)37-29-21-16-19-28-36-48-53(67-48)51(60)52-47(66-52)33-6-4-2/h8,10,14,17-18,26,42-43,45-48,51-53,55-56,60H,3-7,9,11-13,15-16,19-25,27-41H2,1-2H3/b10-8?,18-14?,26-17?/t42?,43?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:17]=[CH:26][CH2:34][CH:45]1[CH:46]([CH2:35][CH2:27][CH2:23][CH2:22][CH2:25][CH2:32][C:44]([C:54](=[O:61])[O:63][CH2:41][CH:43]([CH2:40][O:62][C:49]([CH2:37][CH2:29][CH2:21][CH2:16][CH2:19][CH2:28][CH2:36][CH:48]2[CH:53]([CH:51]([CH:52]3[CH:47]([CH2:33][CH2:6][CH2:4][CH3:2])[O:66]3)[OH:60])[O:67]2)=[O:58])[O:64][C:50]([CH2:38][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:9][CH:8]=[CH:10][CH2:12][CH:14]=[CH:18][CH2:24][CH2:31][CH:42]([CH2:39][OH:55])[OH:56])=[O:59])=[O:57])[O:65]1 |
|