| Properties | Image |
|---|
| MNX_ID | MNXM1138170 |
 |
| reference | envipathM:...f6ddfc77fc45 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | PSZDALFNNVYIFF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-6-16-25-33-47-48(67-47)34-26-18-15-20-27-35-50(60)64-40-43(66-52(62)37-29-19-14-12-10-8-7-9-11-13-17-23-31-42(56)39-55)41-65-51(61)36-28-22-21-24-32-44(57)53(63)46(59)38-49-54(68-49)45(58)30-4-2/h7,9,13,16-17,25,42-49,53-59,63H,3-6,8,10-12,14-15,18-24,26-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C(O)C(O)CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CCC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-6-16-25-33-47-48(67-47)34-26-18-15-20-27-35-50(60)64-40-43(66-52(62)37-29-19-14-12-10-8-7-9-11-13-17-23-31-42(56)39-55)41-65-51(61)36-28-22-21-24-32-44(57)53(63)46(59)38-49-54(68-49)45(58)30-4-2/h7,9,13,16-17,25,42-49,53-59,63H,3-6,8,10-12,14-15,18-24,26-41H2,1-2H3/b9-7?,17-13?,25-16?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:16]=[CH:25][CH2:33][CH:47]1[CH:48]([CH2:34][CH2:26][CH2:18][CH2:15][CH2:20][CH2:27][CH2:35][C:50](=[O:60])[O:64][CH2:40][CH:43]([CH2:41][O:65][C:51]([CH2:36][CH2:28][CH2:22][CH2:21][CH2:24][CH2:32][CH:44]([CH:53]([CH:46]([CH2:38][CH:49]2[CH:54]([CH:45]([CH2:30][CH2:4][CH3:2])[OH:58])[O:68]2)[OH:59])[OH:63])[OH:57])=[O:61])[O:66][C:52]([CH2:37][CH2:29][CH2:19][CH2:14][CH2:12][CH2:10][CH2:8][CH:7]=[CH:9][CH2:11][CH:13]=[CH:17][CH2:23][CH2:31][CH:42]([CH2:39][OH:55])[OH:56])=[O:62])[O:67]1 |
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