| Properties | Image |
|---|
| MNX_ID | MNXM1180716 |
 |
| reference | envipathM:...1d3e13b5195c |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | PHADWMZESJFQQM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-16-26-35-45-51(65-45)43(56)32-24-21-22-29-38-49(59)63-40-42(64-54(61)44(57)33-25-18-14-12-10-11-13-17-23-31-41(55)30-6-3)39-62-48(58)37-28-20-15-19-27-36-47-53(67-47)50(60)52-46(66-52)34-8-5-2/h11,13,16,26,41-47,50-53,55-57,60H,4-10,12,14-15,17-25,27-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)C(O)CCCCCCC=CCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-16-26-35-45-51(65-45)43(56)32-24-21-22-29-38-49(59)63-40-42(64-54(61)44(57)33-25-18-14-12-10-11-13-17-23-31-41(55)30-6-3)39-62-48(58)37-28-20-15-19-27-36-47-53(67-47)50(60)52-46(66-52)34-8-5-2/h11,13,16,26,41-47,50-53,55-57,60H,4-10,12,14-15,17-25,27-40H2,1-3H3/b13-11?,26-16?/t41?,42?,43?,44?,45?,46?,47?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:16]=[CH:26][CH2:35][CH:45]1[CH:51]([CH:43]([CH2:32][CH2:24][CH2:21][CH2:22][CH2:29][CH2:38][C:49](=[O:59])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:48]([CH2:37][CH2:28][CH2:20][CH2:15][CH2:19][CH2:27][CH2:36][CH:47]2[CH:53]([CH:50]([CH:52]3[CH:46]([CH2:34][CH2:8][CH2:5][CH3:2])[O:66]3)[OH:60])[O:67]2)=[O:58])[O:64][C:54]([CH:44]([CH2:33][CH2:25][CH2:18][CH2:14][CH2:12][CH2:10][CH:11]=[CH:13][CH2:17][CH2:23][CH2:31][CH:41]([CH2:30][CH2:6][CH3:3])[OH:55])[OH:57])=[O:61])[OH:56])[O:65]1 |
|