| Properties | Image |
|---|
| MNX_ID | MNXM1175105 |
 |
| reference | envipathM:...8b7c06ba7491 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | GLHBHOGZNFNZAZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-31-48-50(66-48)38-51-49(67-51)33-22-16-13-19-24-36-53(60)63-41-43(64-54(61)37-25-17-11-9-7-6-8-10-14-20-29-42(56)28-4-2)40-62-52(59)35-23-18-12-15-21-32-46-47(65-46)34-27-26-30-44(57)45(58)39-55/h8,10,26-27,42-51,55-58H,3-7,9,11-25,28-41H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCC(O)C(O)CO)OC(=O)CCCCCCCC=CCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-31-48-50(66-48)38-51-49(67-51)33-22-16-13-19-24-36-53(60)63-41-43(64-54(61)37-25-17-11-9-7-6-8-10-14-20-29-42(56)28-4-2)40-62-52(59)35-23-18-12-15-21-32-46-47(65-46)34-27-26-30-44(57)45(58)39-55/h8,10,26-27,42-51,55-58H,3-7,9,11-25,28-41H2,1-2H3/b10-8?,27-26?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:31][CH:48]1[CH:50]([CH2:38][CH:51]2[CH:49]([CH2:33][CH2:22][CH2:16][CH2:13][CH2:19][CH2:24][CH2:36][C:53](=[O:60])[O:63][CH2:41][CH:43]([CH2:40][O:62][C:52]([CH2:35][CH2:23][CH2:18][CH2:12][CH2:15][CH2:21][CH2:32][CH:46]3[CH:47]([CH2:34][CH:27]=[CH:26][CH2:30][CH:44]([CH:45]([CH2:39][OH:55])[OH:58])[OH:57])[O:65]3)=[O:59])[O:64][C:54]([CH2:37][CH2:25][CH2:17][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:14][CH2:20][CH2:29][CH:42]([CH2:28][CH2:4][CH3:2])[OH:56])=[O:61])[O:67]2)[O:66]1 |
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