| Properties | Image |
|---|
| MNX_ID | MNXM1138072 |
 |
| reference | envipathM:...4d54d067b438 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | MPKIFBWUAUDLIZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-8-17-25-34-45(56)46(57)35-26-19-15-22-28-37-51(60)64-41-44(66-53(62)39-30-21-14-12-10-9-11-13-18-24-33-43(55)31-5-2)42-65-52(61)38-29-23-16-20-27-36-49-50(67-49)40-48(59)54(63)47(58)32-6-3/h11,13,17,24-25,33,43-50,54-59,63H,4-10,12,14-16,18-23,26-32,34-42H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)C(O)CCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-8-17-25-34-45(56)46(57)35-26-19-15-22-28-37-51(60)64-41-44(66-53(62)39-30-21-14-12-10-9-11-13-18-24-33-43(55)31-5-2)42-65-52(61)38-29-23-16-20-27-36-49-50(67-49)40-48(59)54(63)47(58)32-6-3/h11,13,17,24-25,33,43-50,54-59,63H,4-10,12,14-16,18-23,26-32,34-42H2,1-3H3/b13-11?,25-17?,33-24?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:17]=[CH:25][CH2:34][CH:45]([CH:46]([CH2:35][CH2:26][CH2:19][CH2:15][CH2:22][CH2:28][CH2:37][C:51](=[O:60])[O:64][CH2:41][CH:44]([CH2:42][O:65][C:52]([CH2:38][CH2:29][CH2:23][CH2:16][CH2:20][CH2:27][CH2:36][CH:49]1[CH:50]([CH2:40][CH:48]([CH:54]([CH:47]([CH2:32][CH2:6][CH3:3])[OH:58])[OH:63])[OH:59])[O:67]1)=[O:61])[O:66][C:53]([CH2:39][CH2:30][CH2:21][CH2:14][CH2:12][CH2:10][CH2:9][CH:11]=[CH:13][CH2:18][CH:24]=[CH:33][CH:43]([CH2:31][CH2:5][CH3:2])[OH:55])=[O:62])[OH:57])[OH:56] |
|