| Properties | Image |
|---|
| MNX_ID | MNXM1175735 |
 |
| reference | envipathM:...76e694223d31 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | IKKVKOWIAMZINY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-33-50-51(67-50)40-47(59)46(58)32-21-15-12-18-23-36-52(60)63-41-45(65-54(62)38-25-17-11-9-7-6-8-10-14-20-29-43(56)28-4-2)42-64-53(61)37-24-19-13-16-22-34-48-49(66-48)35-26-30-44(57)31-27-39-55/h20,26,29-30,43-51,55-59H,3-19,21-25,27-28,31-42H2,1-2H3 |
| SMILES | CCCCC1OC1CC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCCO)OC(=O)CCCCCCCCCCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-33-50-51(67-50)40-47(59)46(58)32-21-15-12-18-23-36-52(60)63-41-45(65-54(62)38-25-17-11-9-7-6-8-10-14-20-29-43(56)28-4-2)42-64-53(61)37-24-19-13-16-22-34-48-49(66-48)35-26-30-44(57)31-27-39-55/h20,26,29-30,43-51,55-59H,3-19,21-25,27-28,31-42H2,1-2H3/b29-20?,30-26?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][CH:50]1[CH:51]([CH2:40][CH:47]([CH:46]([CH2:32][CH2:21][CH2:15][CH2:12][CH2:18][CH2:23][CH2:36][C:52](=[O:60])[O:63][CH2:41][CH:45]([CH2:42][O:64][C:53]([CH2:37][CH2:24][CH2:19][CH2:13][CH2:16][CH2:22][CH2:34][CH:48]2[CH:49]([CH2:35][CH:26]=[CH:30][CH:44]([CH2:31][CH2:27][CH2:39][OH:55])[OH:57])[O:66]2)=[O:61])[O:65][C:54]([CH2:38][CH2:25][CH2:17][CH2:11][CH2:9][CH2:7][CH2:6][CH2:8][CH2:10][CH2:14][CH:20]=[CH:29][CH:43]([CH2:28][CH2:4][CH3:2])[OH:56])=[O:62])[OH:58])[OH:59])[O:67]1 |
|