| Properties | Image |
|---|
| MNX_ID | MNXM1196673 |
 |
| reference | envipathM:...aaa82f7c660d |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | AZEXXYDYEOCMEG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-10-12-13-15-21-29-41(55)30-22-16-19-27-37-51(60)66-42(39-64-50(59)36-28-20-25-32-44(57)53(62)52(61)43(56)31-23-14-11-8-5-2)40-65-54(63)45(58)33-24-17-18-26-35-47-49(68-47)38-48-46(67-48)34-9-6-3/h12-14,21,23,29,41-49,52-53,55-58,61-62H,4-11,15-20,22,24-28,30-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCC(O)C(O)C(O)C(O)CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-10-12-13-15-21-29-41(55)30-22-16-19-27-37-51(60)66-42(39-64-50(59)36-28-20-25-32-44(57)53(62)52(61)43(56)31-23-14-11-8-5-2)40-65-54(63)45(58)33-24-17-18-26-35-47-49(68-47)38-48-46(67-48)34-9-6-3/h12-14,21,23,29,41-49,52-53,55-58,61-62H,4-11,15-20,22,24-28,30-40H2,1-3H3/b13-12?,23-14?,29-21?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:15][CH:21]=[CH:29][CH:41]([CH2:30][CH2:22][CH2:16][CH2:19][CH2:27][CH2:37][C:51](=[O:60])[O:66][CH:42]([CH2:39][O:64][C:50]([CH2:36][CH2:28][CH2:20][CH2:25][CH2:32][CH:44]([CH:53]([CH:52]([CH:43]([CH2:31][CH:23]=[CH:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[OH:61])[OH:62])[OH:57])=[O:59])[CH2:40][O:65][C:54]([CH:45]([CH2:33][CH2:24][CH2:17][CH2:18][CH2:26][CH2:35][CH:47]1[CH:49]([CH2:38][CH:48]2[CH:46]([CH2:34][CH2:9][CH2:6][CH3:3])[O:67]2)[O:68]1)[OH:58])=[O:63])[OH:55] |
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