| Properties | Image |
|---|
| MNX_ID | MNXM1182553 |
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| reference | envipathM:...3ffc8df5e27b |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | RPADRYCRWCZGEN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-29-38-49(60)66-42(40-64-48(59)37-28-21-18-19-25-33-44(57)50(61)43(56)32-24-8-6-4-2)41-65-54(63)45(58)34-26-22-23-27-35-46-52(67-46)51(62)53-47(68-53)36-30-31-39-55/h9-10,12-13,24,32,42-47,50-53,55-58,61-62H,3-8,11,14-23,25-31,33-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C=CCCCC)COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-29-38-49(60)66-42(40-64-48(59)37-28-21-18-19-25-33-44(57)50(61)43(56)32-24-8-6-4-2)41-65-54(63)45(58)34-26-22-23-27-35-46-52(67-46)51(62)53-47(68-53)36-30-31-39-55/h9-10,12-13,24,32,42-47,50-53,55-58,61-62H,3-8,11,14-23,25-31,33-41H2,1-2H3/b10-9?,13-12?,32-24?/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][CH2:17][CH2:20][CH2:29][CH2:38][C:49](=[O:60])[O:66][CH:42]([CH2:40][O:64][C:48]([CH2:37][CH2:28][CH2:21][CH2:18][CH2:19][CH2:25][CH2:33][CH:44]([CH:50]([CH:43]([CH:32]=[CH:24][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])[OH:61])[OH:57])=[O:59])[CH2:41][O:65][C:54]([CH:45]([CH2:34][CH2:26][CH2:22][CH2:23][CH2:27][CH2:35][CH:46]1[CH:52]([CH:51]([CH:53]2[CH:47]([CH2:36][CH2:30][CH2:31][CH2:39][OH:55])[O:68]2)[OH:62])[O:67]1)[OH:58])=[O:63] |
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