| Properties | Image |
|---|
| MNX_ID | MNXM1195242 |
 |
| reference | envipathM:...ce38af96b38c |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | RHJANGOFKLBZGW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-6-9-20-32-46-47(65-46)33-21-10-7-12-23-36-52(59)62-40-44(64-54(61)45(58)31-19-15-18-30-43(57)29-17-14-16-28-42(56)27-4-2)41-63-53(60)37-24-13-8-11-22-34-48-50(66-48)39-51-49(67-51)35-25-26-38-55/h9,16,20,28,42-51,55-58H,3-8,10-15,17-19,21-27,29-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)OC(=O)C(O)CCCCCC(O)CCCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-6-9-20-32-46-47(65-46)33-21-10-7-12-23-36-52(59)62-40-44(64-54(61)45(58)31-19-15-18-30-43(57)29-17-14-16-28-42(56)27-4-2)41-63-53(60)37-24-13-8-11-22-34-48-50(66-48)39-51-49(67-51)35-25-26-38-55/h9,16,20,28,42-51,55-58H,3-8,10-15,17-19,21-27,29-41H2,1-2H3/b20-9?,28-16?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:9]=[CH:20][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:21][CH2:10][CH2:7][CH2:12][CH2:23][CH2:36][C:52](=[O:59])[O:62][CH2:40][CH:44]([CH2:41][O:63][C:53]([CH2:37][CH2:24][CH2:13][CH2:8][CH2:11][CH2:22][CH2:34][CH:48]2[CH:50]([CH2:39][CH:51]3[CH:49]([CH2:35][CH2:25][CH2:26][CH2:38][OH:55])[O:67]3)[O:66]2)=[O:60])[O:64][C:54]([CH:45]([CH2:31][CH2:19][CH2:15][CH2:18][CH2:30][CH:43]([CH2:29][CH2:17][CH2:14][CH:16]=[CH:28][CH:42]([CH2:27][CH2:4][CH3:2])[OH:56])[OH:57])[OH:58])=[O:61])[O:65]1 |
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