| Properties | Image |
|---|
| MNX_ID | MNXM1178928 |
 |
| reference | envipathM:...7227c618af1a |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | YNIWAIOLVRCDPB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-2-3-32-46(58)47(59)40-51-50(67-51)35-25-17-15-20-28-37-53(61)64-43-45(65-54(62)38-29-18-12-10-8-6-4-5-7-9-11-13-21-30-39-55)42-63-52(60)36-27-19-14-16-24-33-48-49(66-48)34-26-22-23-31-44(57)41-56/h4-5,9,11,22,26,41,44-51,55,57-59H,2-3,6-8,10,12-21,23-25,27-40,42-43H2,1H3 |
| SMILES | CCCCC(O)C(O)CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCCC(O)C=O)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-2-3-32-46(58)47(59)40-51-50(67-51)35-25-17-15-20-28-37-53(61)64-43-45(65-54(62)38-29-18-12-10-8-6-4-5-7-9-11-13-21-30-39-55)42-63-52(60)36-27-19-14-16-24-33-48-49(66-48)34-26-22-23-31-44(57)41-56/h4-5,9,11,22,26,41,44-51,55,57-59H,2-3,6-8,10,12-21,23-25,27-40,42-43H2,1H3/b5-4?,11-9?,26-22?/t44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:32][CH:46]([CH:47]([CH2:40][CH:51]1[CH:50]([CH2:35][CH2:25][CH2:17][CH2:15][CH2:20][CH2:28][CH2:37][C:53](=[O:61])[O:64][CH2:43][CH:45]([CH2:42][O:63][C:52]([CH2:36][CH2:27][CH2:19][CH2:14][CH2:16][CH2:24][CH2:33][CH:48]2[CH:49]([CH2:34][CH:26]=[CH:22][CH2:23][CH2:31][CH:44]([CH:41]=[O:56])[OH:57])[O:66]2)=[O:60])[O:65][C:54]([CH2:38][CH2:29][CH2:18][CH2:12][CH2:10][CH2:8][CH2:6][CH:4]=[CH:5][CH2:7][CH:9]=[CH:11][CH2:13][CH2:21][CH2:30][CH2:39][OH:55])=[O:62])[O:67]1)[OH:59])[OH:58] |
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