| Properties | Image |
|---|
| MNX_ID | MNXM1196006 |
 |
| reference | envipathM:...294f8d199d91 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | XDSNOBXEAXCWNG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-6-18-27-35-48-53(66-48)46(58)34-26-22-23-29-37-51(61)64-42-43(65-52(62)38-30-20-15-13-11-9-7-8-10-12-14-16-24-31-39-55)41-63-50(60)36-28-21-17-19-25-33-44(56)47(59)40-49-54(67-49)45(57)32-4-2/h7-8,12,14,18,27,43-46,48-49,53-58H,3-6,9-11,13,15-17,19-26,28-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(=O)CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-6-18-27-35-48-53(66-48)46(58)34-26-22-23-29-37-51(61)64-42-43(65-52(62)38-30-20-15-13-11-9-7-8-10-12-14-16-24-31-39-55)41-63-50(60)36-28-21-17-19-25-33-44(56)47(59)40-49-54(67-49)45(57)32-4-2/h7-8,12,14,18,27,43-46,48-49,53-58H,3-6,9-11,13,15-17,19-26,28-42H2,1-2H3/b8-7?,14-12?,27-18?/t43?,44?,45?,46?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:18]=[CH:27][CH2:35][CH:48]1[CH:53]([CH:46]([CH2:34][CH2:26][CH2:22][CH2:23][CH2:29][CH2:37][C:51](=[O:61])[O:64][CH2:42][CH:43]([CH2:41][O:63][C:50]([CH2:36][CH2:28][CH2:21][CH2:17][CH2:19][CH2:25][CH2:33][CH:44]([C:47]([CH2:40][CH:49]2[CH:54]([CH:45]([CH2:32][CH2:4][CH3:2])[OH:57])[O:67]2)=[O:59])[OH:56])=[O:60])[O:65][C:52]([CH2:38][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:9][CH:7]=[CH:8][CH2:10][CH:12]=[CH:14][CH2:16][CH2:24][CH2:31][CH2:39][OH:55])=[O:62])[OH:58])[O:66]1 |
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