| Properties | Image |
|---|
| MNX_ID | MNXM1175200 |
 |
| reference | envipathM:...0c5b08d3e168 |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | KXCRDWJTQYQPLJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-4-7-9-12-20-28-46(58)47(59)29-21-13-10-15-23-32-52(62)65-40-45(67-54(64)34-25-18-17-19-27-43(56)36-38-44(57)37-35-42(55)26-6-3)41-66-53(63)33-24-16-11-14-22-30-48(60)49(61)39-51-50(68-51)31-8-5-2/h12,20,35-38,42-51,55-61H,4-11,13-19,21-34,39-41H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CC(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-4-7-9-12-20-28-46(58)47(59)29-21-13-10-15-23-32-52(62)65-40-45(67-54(64)34-25-18-17-19-27-43(56)36-38-44(57)37-35-42(55)26-6-3)41-66-53(63)33-24-16-11-14-22-30-48(60)49(61)39-51-50(68-51)31-8-5-2/h12,20,35-38,42-51,55-61H,4-11,13-19,21-34,39-41H2,1-3H3/b20-12?,37-35?,38-36?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:12]=[CH:20][CH2:28][CH:46]([CH:47]([CH2:29][CH2:21][CH2:13][CH2:10][CH2:15][CH2:23][CH2:32][C:52](=[O:62])[O:65][CH2:40][CH:45]([CH2:41][O:66][C:53]([CH2:33][CH2:24][CH2:16][CH2:11][CH2:14][CH2:22][CH2:30][CH:48]([CH:49]([CH2:39][CH:51]1[CH:50]([CH2:31][CH2:8][CH2:5][CH3:2])[O:68]1)[OH:61])[OH:60])=[O:63])[O:67][C:54]([CH2:34][CH2:25][CH2:18][CH2:17][CH2:19][CH2:27][CH:43]([CH:36]=[CH:38][CH:44]([CH:37]=[CH:35][CH:42]([CH2:26][CH2:6][CH3:3])[OH:55])[OH:57])[OH:56])=[O:64])[OH:59])[OH:58] |
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