| Properties | Image |
|---|
| MNX_ID | MNXM1196182 |
 |
| reference | envipathM:...2d19bd7ff421 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | CTBHFXMUHHOOQZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-33-49-50(67-49)40-46(58)54(62)45(57)32-23-20-21-26-37-52(60)64-42-44(65-53(61)38-27-18-14-12-10-8-6-7-9-11-13-15-22-28-39-55)41-63-51(59)36-25-19-16-17-24-34-47-48(66-47)35-29-31-43(56)30-4-2/h6-7,11,13,29,31,43-50,54-58,62H,3-5,8-10,12,14-28,30,32-42H2,1-2H3 |
| SMILES | CCCCC1OC1CC(O)C(O)C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-33-49-50(67-49)40-46(58)54(62)45(57)32-23-20-21-26-37-52(60)64-42-44(65-53(61)38-27-18-14-12-10-8-6-7-9-11-13-15-22-28-39-55)41-63-51(59)36-25-19-16-17-24-34-47-48(66-47)35-29-31-43(56)30-4-2/h6-7,11,13,29,31,43-50,54-58,62H,3-5,8-10,12,14-28,30,32-42H2,1-2H3/b7-6?,13-11?,31-29?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][CH:49]1[CH:50]([CH2:40][CH:46]([CH:54]([CH:45]([CH2:32][CH2:23][CH2:20][CH2:21][CH2:26][CH2:37][C:52](=[O:60])[O:64][CH2:42][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:25][CH2:19][CH2:16][CH2:17][CH2:24][CH2:34][CH:47]2[CH:48]([CH2:35][CH:29]=[CH:31][CH:43]([CH2:30][CH2:4][CH3:2])[OH:56])[O:66]2)=[O:59])[O:65][C:53]([CH2:38][CH2:27][CH2:18][CH2:14][CH2:12][CH2:10][CH2:8][CH:6]=[CH:7][CH2:9][CH:11]=[CH:13][CH2:15][CH2:22][CH2:28][CH2:39][OH:55])=[O:61])[OH:57])[OH:62])[OH:58])[O:67]1 |
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