| Properties | Image |
|---|
| MNX_ID | MNXM1179423 |
 |
| reference | envipathM:...b7fb83e60794 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | SFNADTMEXWJELO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-51(60)65-44(41-63-49(58)37-29-22-17-19-26-34-46-47(66-46)35-28-24-25-32-43(56)40-55)42-64-50(59)38-30-23-18-20-27-36-48-54(67-48)53(62)52(61)45(57)33-6-4-2/h8-9,11-12,24,28,43-48,52,54-57,61H,3-7,10,13-23,25-27,29-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCC(O)CO)COC(=O)CCCCCCCC1OC1C(=O)C(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-51(60)65-44(41-63-49(58)37-29-22-17-19-26-34-46-47(66-46)35-28-24-25-32-43(56)40-55)42-64-50(59)38-30-23-18-20-27-36-48-54(67-48)53(62)52(61)45(57)33-6-4-2/h8-9,11-12,24,28,43-48,52,54-57,61H,3-7,10,13-23,25-27,29-42H2,1-2H3/b9-8?,12-11?,28-24?/t43?,44?,45?,46?,47?,48?,52?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:21][CH2:31][CH2:39][C:51](=[O:60])[O:65][CH:44]([CH2:41][O:63][C:49]([CH2:37][CH2:29][CH2:22][CH2:17][CH2:19][CH2:26][CH2:34][CH:46]1[CH:47]([CH2:35][CH:28]=[CH:24][CH2:25][CH2:32][CH:43]([CH2:40][OH:55])[OH:56])[O:66]1)=[O:58])[CH2:42][O:64][C:50]([CH2:38][CH2:30][CH2:23][CH2:18][CH2:20][CH2:27][CH2:36][CH:48]1[CH:54]([C:53]([CH:52]([CH:45]([CH2:33][CH2:6][CH2:4][CH3:2])[OH:57])[OH:61])=[O:62])[O:67]1)=[O:59] |
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