| Properties | Image |
|---|
| MNX_ID | MNXM1197221 |
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| reference | envipathM:...39e710871598 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | ZDOIKDKUHYMFAJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-28-37-50(61)66-41(39-64-48(59)35-27-24-23-25-33-44(57)53-46(67-53)34-26-21-11-8-5-2)40-65-49(60)36-30-29-32-43(56)51(62)52(63)54-47(68-54)38-45(58)42(55)31-9-6-3/h12-13,15-16,21,26,41-47,51-58,62-63H,4-11,14,17-20,22-25,27-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC=CCCCC)COC(=O)CCCCC(O)C(O)C(O)C1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-28-37-50(61)66-41(39-64-48(59)35-27-24-23-25-33-44(57)53-46(67-53)34-26-21-11-8-5-2)40-65-49(60)36-30-29-32-43(56)51(62)52(63)54-47(68-54)38-45(58)42(55)31-9-6-3/h12-13,15-16,21,26,41-47,51-58,62-63H,4-11,14,17-20,22-25,27-40H2,1-3H3/b13-12?,16-15?,26-21?/t41?,42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:28][CH2:37][C:50](=[O:61])[O:66][CH:41]([CH2:39][O:64][C:48]([CH2:35][CH2:27][CH2:24][CH2:23][CH2:25][CH2:33][CH:44]([CH:53]1[CH:46]([CH2:34][CH:26]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:67]1)[OH:57])=[O:59])[CH2:40][O:65][C:49]([CH2:36][CH2:30][CH2:29][CH2:32][CH:43]([CH:51]([CH:52]([CH:54]1[CH:47]([CH2:38][CH:45]([CH:42]([CH2:31][CH2:9][CH2:6][CH3:3])[OH:55])[OH:58])[O:68]1)[OH:63])[OH:62])[OH:56])=[O:60] |
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