| Properties | Image |
|---|
| MNX_ID | MNXM1196202 |
 |
| reference | envipathM:...e50d317d9070 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | AJVKKUPYZXCDOV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-18-27-42(56)36-37-45(58)44(57)28-19-17-25-35-54(61)64-43(40-62-52(59)33-23-14-8-11-20-30-46-47(65-46)31-21-13-10-16-26-38-55)41-63-53(60)34-24-15-9-12-22-32-49-51(67-49)39-50-48(66-50)29-6-4-2/h13,18,21,27,36-37,42-51,55-58H,3-12,14-17,19-20,22-26,28-35,38-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CC(O)C(O)CCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-18-27-42(56)36-37-45(58)44(57)28-19-17-25-35-54(61)64-43(40-62-52(59)33-23-14-8-11-20-30-46-47(65-46)31-21-13-10-16-26-38-55)41-63-53(60)34-24-15-9-12-22-32-49-51(67-49)39-50-48(66-50)29-6-4-2/h13,18,21,27,36-37,42-51,55-58H,3-12,14-17,19-20,22-26,28-35,38-41H2,1-2H3/b21-13?,27-18?,37-36?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:18]=[CH:27][CH:42]([CH:36]=[CH:37][CH:45]([CH:44]([CH2:28][CH2:19][CH2:17][CH2:25][CH2:35][C:54](=[O:61])[O:64][CH:43]([CH2:40][O:62][C:52]([CH2:33][CH2:23][CH2:14][CH2:8][CH2:11][CH2:20][CH2:30][CH:46]1[CH:47]([CH2:31][CH:21]=[CH:13][CH2:10][CH2:16][CH2:26][CH2:38][OH:55])[O:65]1)=[O:59])[CH2:41][O:63][C:53]([CH2:34][CH2:24][CH2:15][CH2:9][CH2:12][CH2:22][CH2:32][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:29][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:60])[OH:57])[OH:58])[OH:56] |
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