| Properties | Image |
|---|
| MNX_ID | MNXM1172554 |
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| reference | envipathM:...1726a42dcd45 |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | BIDYZIWQGUDGLT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-50(61)67-43(41-65-49(60)38-30-22-17-19-26-34-44(56)45(57)35-27-20-18-25-32-40-55)42-66-54(64)47(59)36-28-23-24-29-37-48-53(68-48)52(63)51(62)46(58)33-6-4-2/h8-9,11-12,20,27,43-48,51-53,55-59,62-63H,3-7,10,13-19,21-26,28-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCCO)COC(=O)C(O)CCCCCCC1OC1C(O)C(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-50(61)67-43(41-65-49(60)38-30-22-17-19-26-34-44(56)45(57)35-27-20-18-25-32-40-55)42-66-54(64)47(59)36-28-23-24-29-37-48-53(68-48)52(63)51(62)46(58)33-6-4-2/h8-9,11-12,20,27,43-48,51-53,55-59,62-63H,3-7,10,13-19,21-26,28-42H2,1-2H3/b9-8?,12-11?,27-20?/t43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:21][CH2:31][CH2:39][C:50](=[O:61])[O:67][CH:43]([CH2:41][O:65][C:49]([CH2:38][CH2:30][CH2:22][CH2:17][CH2:19][CH2:26][CH2:34][CH:44]([CH:45]([CH2:35][CH:27]=[CH:20][CH2:18][CH2:25][CH2:32][CH2:40][OH:55])[OH:57])[OH:56])=[O:60])[CH2:42][O:66][C:54]([CH:47]([CH2:36][CH2:28][CH2:23][CH2:24][CH2:29][CH2:37][CH:48]1[CH:53]([CH:52]([CH:51]([CH:46]([CH2:33][CH2:6][CH2:4][CH3:2])[OH:58])[OH:62])[OH:63])[O:68]1)[OH:59])=[O:64] |
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