| Properties | Image |
|---|
| MNX_ID | MNXM1191029 |
 |
| reference | envipathM:...d21f3d1e902c |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | CNDWOMQYUIIKGG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-30-38-49(60)66-42(40-64-48(59)37-29-22-17-20-28-36-47-53(68-47)51(62)52-46(67-52)35-6-4-2)41-65-54(63)45(58)34-27-24-26-33-44(57)50(61)43(56)32-25-19-18-23-31-39-55/h8-9,11-12,19,25,42-47,50-53,55-58,61-62H,3-7,10,13-18,20-24,26-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)C(O)CCCCCC(O)C(O)C(O)CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-30-38-49(60)66-42(40-64-48(59)37-29-22-17-20-28-36-47-53(68-47)51(62)52-46(67-52)35-6-4-2)41-65-54(63)45(58)34-27-24-26-33-44(57)50(61)43(56)32-25-19-18-23-31-39-55/h8-9,11-12,19,25,42-47,50-53,55-58,61-62H,3-7,10,13-18,20-24,26-41H2,1-2H3/b9-8?,12-11?,25-19?/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:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:21][CH2:30][CH2:38][C:49](=[O:60])[O:66][CH:42]([CH2:40][O:64][C:48]([CH2:37][CH2:29][CH2:22][CH2:17][CH2:20][CH2:28][CH2:36][CH:47]1[CH:53]([CH:51]([CH:52]2[CH:46]([CH2:35][CH2:6][CH2:4][CH3:2])[O:67]2)[OH:62])[O:68]1)=[O:59])[CH2:41][O:65][C:54]([CH:45]([CH2:34][CH2:27][CH2:24][CH2:26][CH2:33][CH:44]([CH:50]([CH:43]([CH2:32][CH:25]=[CH:19][CH2:18][CH2:23][CH2:31][CH2:39][OH:55])[OH:56])[OH:61])[OH:57])[OH:58])=[O:63] |
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