| Properties | Image |
|---|
| MNX_ID | MNXM1197989 |
 |
| reference | envipathM:...1d948a6f22a6 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | SDQOLGRNWRTFDX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-27-41(56)28-18-12-8-6-5-7-9-13-19-29-45(59)54(62)65-42(39-63-52(60)35-22-16-10-14-20-31-46-47(66-46)34-26-30-44(58)43(57)4-2)40-64-53(61)36-23-17-11-15-21-32-48-50(67-48)38-51-49(68-51)33-24-25-37-55/h6,8,18,26,28,30,41-51,55-59H,3-5,7,9-17,19-25,27,29,31-40H2,1-2H3 |
| SMILES | CCCC(O)C=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(O)CC)COC(=O)CCCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-27-41(56)28-18-12-8-6-5-7-9-13-19-29-45(59)54(62)65-42(39-63-52(60)35-22-16-10-14-20-31-46-47(66-46)34-26-30-44(58)43(57)4-2)40-64-53(61)36-23-17-11-15-21-32-48-50(67-48)38-51-49(68-51)33-24-25-37-55/h6,8,18,26,28,30,41-51,55-59H,3-5,7,9-17,19-25,27,29,31-40H2,1-2H3/b8-6?,28-18?,30-26?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:27][CH:41]([CH:28]=[CH:18][CH2:12][CH:8]=[CH:6][CH2:5][CH2:7][CH2:9][CH2:13][CH2:19][CH2:29][CH:45]([C:54](=[O:62])[O:65][CH:42]([CH2:39][O:63][C:52]([CH2:35][CH2:22][CH2:16][CH2:10][CH2:14][CH2:20][CH2:31][CH:46]1[CH:47]([CH2:34][CH:26]=[CH:30][CH:44]([CH:43]([CH2:4][CH3:2])[OH:57])[OH:58])[O:66]1)=[O:60])[CH2:40][O:64][C:53]([CH2:36][CH2:23][CH2:17][CH2:11][CH2:15][CH2:21][CH2:32][CH:48]1[CH:50]([CH2:38][CH:51]2[CH:49]([CH2:33][CH2:24][CH2:25][CH2:37][OH:55])[O:68]2)[O:67]1)=[O:61])[OH:59])[OH:56] |
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