| Properties | Image |
|---|
| MNX_ID | MNXM1196858 |
 |
| reference | envipathM:...0d8402ca23d4 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | ZXJMLQQJMCQEAI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-34-48-50(67-48)39-51-49(68-51)35-22-13-10-15-24-37-53(62)65-41-44(66-54(63)47(60)32-21-17-19-29-43(57)28-18-11-7-6-8-16-25-38-55)40-64-52(61)36-23-14-9-12-20-31-45(58)46(59)33-26-30-42(56)27-4-2/h6-7,18,26,28,30,42-51,55-60H,3-5,8-17,19-25,27,29,31-41H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC=CC(O)CCC)OC(=O)C(O)CCCCCC(O)C=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-34-48-50(67-48)39-51-49(68-51)35-22-13-10-15-24-37-53(62)65-41-44(66-54(63)47(60)32-21-17-19-29-43(57)28-18-11-7-6-8-16-25-38-55)40-64-52(61)36-23-14-9-12-20-31-45(58)46(59)33-26-30-42(56)27-4-2/h6-7,18,26,28,30,42-51,55-60H,3-5,8-17,19-25,27,29,31-41H2,1-2H3/b7-6?,28-18?,30-26?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:34][CH:48]1[CH:50]([CH2:39][CH:51]2[CH:49]([CH2:35][CH2:22][CH2:13][CH2:10][CH2:15][CH2:24][CH2:37][C:53](=[O:62])[O:65][CH2:41][CH:44]([CH2:40][O:64][C:52]([CH2:36][CH2:23][CH2:14][CH2:9][CH2:12][CH2:20][CH2:31][CH:45]([CH:46]([CH2:33][CH:26]=[CH:30][CH:42]([CH2:27][CH2:4][CH3:2])[OH:56])[OH:59])[OH:58])=[O:61])[O:66][C:54]([CH:47]([CH2:32][CH2:21][CH2:17][CH2:19][CH2:29][CH:43]([CH:28]=[CH:18][CH2:11][CH:7]=[CH:6][CH2:8][CH2:16][CH2:25][CH2:38][OH:55])[OH:57])[OH:60])=[O:63])[O:68]2)[O:67]1 |
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