| Properties | Image |
|---|
| MNX_ID | MNXM1184184 |
 |
| reference | envipathM:...b1ae3d2169ac |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | OGTDPUVTMWZQDB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-33-48(59)49(60)41-51-50(67-51)36-25-19-17-22-27-38-53(62)65-43-45(66-54(63)39-28-20-14-12-10-8-6-7-9-11-13-15-23-29-40-55)42-64-52(61)37-26-21-16-18-24-34-46(57)47(58)35-30-32-44(56)31-4-2/h6-7,11,13,30,32,40,44-51,56-60H,3-5,8-10,12,14-29,31,33-39,41-43H2,1-2H3 |
| SMILES | CCCCC(O)C(O)CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-33-48(59)49(60)41-51-50(67-51)36-25-19-17-22-27-38-53(62)65-43-45(66-54(63)39-28-20-14-12-10-8-6-7-9-11-13-15-23-29-40-55)42-64-52(61)37-26-21-16-18-24-34-46(57)47(58)35-30-32-44(56)31-4-2/h6-7,11,13,30,32,40,44-51,56-60H,3-5,8-10,12,14-29,31,33-39,41-43H2,1-2H3/b7-6?,13-11?,32-30?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][CH:48]([CH:49]([CH2:41][CH:51]1[CH:50]([CH2:36][CH2:25][CH2:19][CH2:17][CH2:22][CH2:27][CH2:38][C:53](=[O:62])[O:65][CH2:43][CH:45]([CH2:42][O:64][C:52]([CH2:37][CH2:26][CH2:21][CH2:16][CH2:18][CH2:24][CH2:34][CH:46]([CH:47]([CH2:35][CH:30]=[CH:32][CH:44]([CH2:31][CH2:4][CH3:2])[OH:56])[OH:58])[OH:57])=[O:61])[O:66][C:54]([CH2:39][CH2:28][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH:6]=[CH:7][CH2:9][CH:11]=[CH:13][CH2:15][CH2:23][CH2:29][CH:40]=[O:55])=[O:63])[O:67]1)[OH:60])[OH:59] |
|