| Properties | Image |
|---|
| MNX_ID | MNXM1183073 |
 |
| reference | envipathM:...8ae309e4233c |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | SDWWQQSXKHFHFH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-33-47-52(66-47)51(60)53-48(67-53)36-26-15-12-18-27-37-49(58)62-40-43(64-50(59)38-28-17-11-9-7-6-8-10-14-22-31-42(56)30-4-2)41-63-54(61)44(57)32-23-19-20-25-35-46-45(65-46)34-24-16-13-21-29-39-55/h8,10,22,31,42-48,51-53,55-57,60H,3-7,9,11-21,23-30,32-41H2,1-2H3 |
| SMILES | CCCCC1OC1C(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CCCCCCCO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-33-47-52(66-47)51(60)53-48(67-53)36-26-15-12-18-27-37-49(58)62-40-43(64-50(59)38-28-17-11-9-7-6-8-10-14-22-31-42(56)30-4-2)41-63-54(61)44(57)32-23-19-20-25-35-46-45(65-46)34-24-16-13-21-29-39-55/h8,10,22,31,42-48,51-53,55-57,60H,3-7,9,11-21,23-30,32-41H2,1-2H3/b10-8?,31-22?/t42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][CH:47]1[CH:52]([CH:51]([CH:53]2[CH:48]([CH2:36][CH2:26][CH2:15][CH2:12][CH2:18][CH2:27][CH2:37][C:49](=[O:58])[O:62][CH2:40][CH:43]([CH2:41][O:63][C:54]([CH:44]([CH2:32][CH2:23][CH2:19][CH2:20][CH2:25][CH2:35][CH:46]3[CH:45]([CH2:34][CH2:24][CH2:16][CH2:13][CH2:21][CH2:29][CH2:39][OH:55])[O:65]3)[OH:57])=[O:61])[O:64][C:50]([CH2:38][CH2:28][CH2:17][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:14][CH:22]=[CH:31][CH:42]([CH2:30][CH2:4][CH3:2])[OH:56])=[O:59])[O:67]2)[OH:60])[O:66]1 |
|