| Properties | Image |
|---|
| MNX_ID | MNXM1196692 |
 |
| reference | envipathM:...ad4e4905a328 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | MURYZSWHKLAKKZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-34-47-48(67-47)39-49-54(68-49)46(59)33-24-17-18-26-36-51(61)65-41-43(66-52(62)37-27-15-11-9-7-6-8-10-13-21-30-42(56)29-4-2)40-64-50(60)35-25-16-12-14-22-31-44(57)53(63)45(58)32-23-19-20-28-38-55/h8,10,21,23,30,32,42-49,53-59,63H,3-7,9,11-20,22,24-29,31,33-41H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)C(O)C=CCCCCO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-34-47-48(67-47)39-49-54(68-49)46(59)33-24-17-18-26-36-51(61)65-41-43(66-52(62)37-27-15-11-9-7-6-8-10-13-21-30-42(56)29-4-2)40-64-50(60)35-25-16-12-14-22-31-44(57)53(63)45(58)32-23-19-20-28-38-55/h8,10,21,23,30,32,42-49,53-59,63H,3-7,9,11-20,22,24-29,31,33-41H2,1-2H3/b10-8?,30-21?,32-23?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:34][CH:47]1[CH:48]([CH2:39][CH:49]2[CH:54]([CH:46]([CH2:33][CH2:24][CH2:17][CH2:18][CH2:26][CH2:36][C:51](=[O:61])[O:65][CH2:41][CH:43]([CH2:40][O:64][C:50]([CH2:35][CH2:25][CH2:16][CH2:12][CH2:14][CH2:22][CH2:31][CH:44]([CH:53]([CH:45]([CH:32]=[CH:23][CH2:19][CH2:20][CH2:28][CH2:38][OH:55])[OH:58])[OH:63])[OH:57])=[O:60])[O:66][C:52]([CH2:37][CH2:27][CH2:15][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:13][CH:21]=[CH:30][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])=[O:62])[OH:59])[O:68]2)[O:67]1 |
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