| Properties | Image |
|---|
| MNX_ID | MNXM1170969 |
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| reference | envipathM:...f8a540795bc0 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | KLJQBPXJTBWEBW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-20-27-35-45(56)46(57)36-28-21-18-24-30-38-49(59)64-42-44(66-51(61)40-32-23-16-14-12-10-8-9-11-13-15-17-26-33-41-55)43-65-50(60)39-31-25-19-22-29-37-48-54(67-48)53(63)52(62)47(58)34-6-4-2/h8-9,13,15,20,27,44-45,47-48,52-56,58,62-63H,3-7,10-12,14,16-19,21-26,28-43H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(=O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C(O)C(O)CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-20-27-35-45(56)46(57)36-28-21-18-24-30-38-49(59)64-42-44(66-51(61)40-32-23-16-14-12-10-8-9-11-13-15-17-26-33-41-55)43-65-50(60)39-31-25-19-22-29-37-48-54(67-48)53(63)52(62)47(58)34-6-4-2/h8-9,13,15,20,27,44-45,47-48,52-56,58,62-63H,3-7,10-12,14,16-19,21-26,28-43H2,1-2H3/b9-8?,15-13?,27-20?/t44?,45?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:20]=[CH:27][CH2:35][CH:45]([C:46]([CH2:36][CH2:28][CH2:21][CH2:18][CH2:24][CH2:30][CH2:38][C:49](=[O:59])[O:64][CH2:42][CH:44]([CH2:43][O:65][C:50]([CH2:39][CH2:31][CH2:25][CH2:19][CH2:22][CH2:29][CH2:37][CH:48]1[CH:54]([CH:53]([CH:52]([CH:47]([CH2:34][CH2:6][CH2:4][CH3:2])[OH:58])[OH:62])[OH:63])[O:67]1)=[O:60])[O:66][C:51]([CH2:40][CH2:32][CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:26][CH2:33][CH2:41][OH:55])=[O:61])=[O:57])[OH:56] |
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