| Properties | Image |
|---|
| MNX_ID | MNXM1188163 |
 |
| reference | envipathM:...dd52237e802e |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | WTJAMULPKIVAQE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-19-25-33-44(57)54(61)64-42(40-62-48(58)37-28-21-17-20-27-35-46-45(65-46)34-26-18-8-6-4-2)41-63-49(59)38-29-23-22-24-32-43(56)51-53(67-51)50(60)52-47(66-52)36-30-31-39-55/h9-10,12-13,18,26,42-47,50-53,55-57,60H,3-8,11,14-17,19-25,27-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCC(O)C1OC1C(O)C1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-19-25-33-44(57)54(61)64-42(40-62-48(58)37-28-21-17-20-27-35-46-45(65-46)34-26-18-8-6-4-2)41-63-49(59)38-29-23-22-24-32-43(56)51-53(67-51)50(60)52-47(66-52)36-30-31-39-55/h9-10,12-13,18,26,42-47,50-53,55-57,60H,3-8,11,14-17,19-25,27-41H2,1-2H3/b10-9?,13-12?,26-18?/t42?,43?,44?,45?,46?,47?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:25][CH2:33][CH:44]([C:54](=[O:61])[O:64][CH:42]([CH2:40][O:62][C:48]([CH2:37][CH2:28][CH2:21][CH2:17][CH2:20][CH2:27][CH2:35][CH:46]1[CH:45]([CH2:34][CH:26]=[CH:18][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:58])[CH2:41][O:63][C:49]([CH2:38][CH2:29][CH2:23][CH2:22][CH2:24][CH2:32][CH:43]([CH:51]1[CH:53]([CH:50]([CH:52]2[CH:47]([CH2:36][CH2:30][CH2:31][CH2:39][OH:55])[O:66]2)[OH:60])[O:67]1)[OH:56])=[O:59])[OH:57] |
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