| Properties | Image |
|---|
| MNX_ID | MNXM1172313 |
 |
| reference | envipathM:...3030d14dc949 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | JKSKOMOYOIDIAO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-18-27-35-48-53(68-48)44(57)32-25-23-26-33-45(58)54(63)65-41-42(66-51(61)37-29-19-16-14-12-10-8-9-11-13-15-17-22-30-38-55)40-64-50(60)36-28-21-20-24-31-43(56)52(62)46(59)39-49-47(67-49)34-6-4-2/h8-9,13,15,18,27,42-49,52-53,55-59,62H,3-7,10-12,14,16-17,19-26,28-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCC(O)C(=O)OCC(COC(=O)CCCCCCC(O)C(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-18-27-35-48-53(68-48)44(57)32-25-23-26-33-45(58)54(63)65-41-42(66-51(61)37-29-19-16-14-12-10-8-9-11-13-15-17-22-30-38-55)40-64-50(60)36-28-21-20-24-31-43(56)52(62)46(59)39-49-47(67-49)34-6-4-2/h8-9,13,15,18,27,42-49,52-53,55-59,62H,3-7,10-12,14,16-17,19-26,28-41H2,1-2H3/b9-8?,15-13?,27-18?/t42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:18]=[CH:27][CH2:35][CH:48]1[CH:53]([CH:44]([CH2:32][CH2:25][CH2:23][CH2:26][CH2:33][CH:45]([C:54](=[O:63])[O:65][CH2:41][CH:42]([CH2:40][O:64][C:50]([CH2:36][CH2:28][CH2:21][CH2:20][CH2:24][CH2:31][CH:43]([CH:52]([CH:46]([CH2:39][CH:49]2[CH:47]([CH2:34][CH2:6][CH2:4][CH3:2])[O:67]2)[OH:59])[OH:62])[OH:56])=[O:60])[O:66][C:51]([CH2:37][CH2:29][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:22][CH2:30][CH2:38][OH:55])=[O:61])[OH:58])[OH:57])[O:68]1 |
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