| Properties | Image |
|---|
| MNX_ID | MNXM1179867 |
 |
| reference | envipathM:...5ef71f965265 |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | JNSOZAGLHGNLSJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-3-5-32-48(60)49(61)39-51-50(68-51)35-24-18-15-21-26-37-53(63)66-42-45(67-54(64)38-27-19-13-11-9-7-6-8-10-12-16-22-30-44(57)40-55)41-65-52(62)36-25-20-14-17-23-33-46(58)47(59)34-28-31-43(56)29-4-2/h6,8,12,16,28,31,43-51,55-61H,3-5,7,9-11,13-15,17-27,29-30,32-42H2,1-2H3 |
| SMILES | CCCCC(O)C(O)CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-3-5-32-48(60)49(61)39-51-50(68-51)35-24-18-15-21-26-37-53(63)66-42-45(67-54(64)38-27-19-13-11-9-7-6-8-10-12-16-22-30-44(57)40-55)41-65-52(62)36-25-20-14-17-23-33-46(58)47(59)34-28-31-43(56)29-4-2/h6,8,12,16,28,31,43-51,55-61H,3-5,7,9-11,13-15,17-27,29-30,32-42H2,1-2H3/b8-6?,16-12?,31-28?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:32][CH:48]([CH:49]([CH2:39][CH:51]1[CH:50]([CH2:35][CH2:24][CH2:18][CH2:15][CH2:21][CH2:26][CH2:37][C:53](=[O:63])[O:66][CH2:42][CH:45]([CH2:41][O:65][C:52]([CH2:36][CH2:25][CH2:20][CH2:14][CH2:17][CH2:23][CH2:33][CH:46]([CH:47]([CH2:34][CH:28]=[CH:31][CH:43]([CH2:29][CH2:4][CH3:2])[OH:56])[OH:59])[OH:58])=[O:62])[O:67][C:54]([CH2:38][CH2:27][CH2:19][CH2:13][CH2:11][CH2:9][CH2:7][CH:6]=[CH:8][CH2:10][CH:12]=[CH:16][CH2:22][CH2:30][CH:44]([CH2:40][OH:55])[OH:57])=[O:64])[O:68]1)[OH:61])[OH:60] |
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