| Properties | Image |
|---|
| MNX_ID | MNXM1171531 |
 |
| reference | envipathM:...0a6a16fc308c |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | NMYCKGJIVUCYDR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-11-12-15-21-30-42(55)43(56)31-23-20-28-37-52(61)66-41(40-65-54(63)45(58)32-22-18-19-26-34-48-47(67-48)33-24-14-10-8-5-2)39-64-51(60)36-27-17-13-16-25-35-49-50(68-49)38-46(59)53(62)44(57)29-6-3/h11-12,14,21,24,30,41-50,53,55-59,62H,4-10,13,15-20,22-23,25-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)C(O)CCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC(O)C(O)C(O)CCC)COC(=O)C(O)CCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-11-12-15-21-30-42(55)43(56)31-23-20-28-37-52(61)66-41(40-65-54(63)45(58)32-22-18-19-26-34-48-47(67-48)33-24-14-10-8-5-2)39-64-51(60)36-27-17-13-16-25-35-49-50(68-49)38-46(59)53(62)44(57)29-6-3/h11-12,14,21,24,30,41-50,53,55-59,62H,4-10,13,15-20,22-23,25-29,31-40H2,1-3H3/b12-11?,24-14?,30-21?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:15][CH:21]=[CH:30][CH:42]([CH:43]([CH2:31][CH2:23][CH2:20][CH2:28][CH2:37][C:52](=[O:61])[O:66][CH:41]([CH2:39][O:64][C:51]([CH2:36][CH2:27][CH2:17][CH2:13][CH2:16][CH2:25][CH2:35][CH:49]1[CH:50]([CH2:38][CH:46]([CH:53]([CH:44]([CH2:29][CH2:6][CH3:3])[OH:57])[OH:62])[OH:59])[O:68]1)=[O:60])[CH2:40][O:65][C:54]([CH:45]([CH2:32][CH2:22][CH2:18][CH2:19][CH2:26][CH2:34][CH:48]1[CH:47]([CH2:33][CH:24]=[CH:14][CH2:10][CH2:8][CH2:5][CH3:2])[O:67]1)[OH:58])=[O:63])[OH:56])[OH:55] |
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