| Properties | Image |
|---|
| MNX_ID | MNXM1175017 |
 |
| reference | envipathM:...6b5d96697cf8 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | NIVKGKAXGTTWIT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-32-50-51(68-50)39-47(60)46(59)31-19-12-9-14-22-35-52(61)64-40-43(66-54(63)37-24-17-20-30-45(58)44(57)29-18-11-7-6-8-16-25-38-55)41-65-53(62)36-23-15-10-13-21-33-48-49(67-48)34-26-28-42(56)27-4-2/h6-7,18,26,28-29,42-51,55-60H,3-5,8-17,19-25,27,30-41H2,1-2H3 |
| SMILES | CCCCC1OC1CC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCC(O)C(O)C=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-32-50-51(68-50)39-47(60)46(59)31-19-12-9-14-22-35-52(61)64-40-43(66-54(63)37-24-17-20-30-45(58)44(57)29-18-11-7-6-8-16-25-38-55)41-65-53(62)36-23-15-10-13-21-33-48-49(67-48)34-26-28-42(56)27-4-2/h6-7,18,26,28-29,42-51,55-60H,3-5,8-17,19-25,27,30-41H2,1-2H3/b7-6?,28-26?,29-18?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:32][CH:50]1[CH:51]([CH2:39][CH:47]([CH:46]([CH2:31][CH2:19][CH2:12][CH2:9][CH2:14][CH2:22][CH2:35][C:52](=[O:61])[O:64][CH2:40][CH:43]([CH2:41][O:65][C:53]([CH2:36][CH2:23][CH2:15][CH2:10][CH2:13][CH2:21][CH2:33][CH:48]2[CH:49]([CH2:34][CH:26]=[CH:28][CH:42]([CH2:27][CH2:4][CH3:2])[OH:56])[O:67]2)=[O:62])[O:66][C:54]([CH2:37][CH2:24][CH2:17][CH2:20][CH2:30][CH:45]([CH:44]([CH:29]=[CH:18][CH2:11][CH:7]=[CH:6][CH2:8][CH2:16][CH2:25][CH2:38][OH:55])[OH:57])[OH:58])=[O:63])[OH:59])[OH:60])[O:68]1 |
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