| Properties | Image |
|---|
| MNX_ID | MNXM1184705 |
 |
| reference | envipathM:...e3a148b38c9f |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | YXUUFRFBAPLIDE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-27-42(56)29-18-12-8-6-5-7-9-13-19-31-45(58)54(61)64-44(40-62-52(59)36-22-16-10-14-20-32-46-47(65-46)35-26-30-43(57)28-4-2)41-63-53(60)37-23-17-11-15-21-33-48-50(66-48)39-51-49(67-51)34-24-25-38-55/h6,8,18,29,42-51,55-58H,3-5,7,9-17,19-28,30-41H2,1-2H3 |
| SMILES | CCCC(O)C=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CCCC(O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-27-42(56)29-18-12-8-6-5-7-9-13-19-31-45(58)54(61)64-44(40-62-52(59)36-22-16-10-14-20-32-46-47(65-46)35-26-30-43(57)28-4-2)41-63-53(60)37-23-17-11-15-21-33-48-50(66-48)39-51-49(67-51)34-24-25-38-55/h6,8,18,29,42-51,55-58H,3-5,7,9-17,19-28,30-41H2,1-2H3/b8-6?,29-18?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:27][CH:42]([CH:29]=[CH:18][CH2:12][CH:8]=[CH:6][CH2:5][CH2:7][CH2:9][CH2:13][CH2:19][CH2:31][CH:45]([C:54](=[O:61])[O:64][CH:44]([CH2:40][O:62][C:52]([CH2:36][CH2:22][CH2:16][CH2:10][CH2:14][CH2:20][CH2:32][CH:46]1[CH:47]([CH2:35][CH2:26][CH2:30][CH:43]([CH2:28][CH2:4][CH3:2])[OH:57])[O:65]1)=[O:59])[CH2:41][O:63][C:53]([CH2:37][CH2:23][CH2:17][CH2:11][CH2:15][CH2:21][CH2:33][CH:48]1[CH:50]([CH2:39][CH:51]2[CH:49]([CH2:34][CH2:24][CH2:25][CH2:38][OH:55])[O:67]2)[O:66]1)=[O:60])[OH:58])[OH:56] |
|