| Properties | Image |
|---|
| MNX_ID | MNXM1178579 |
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| reference | envipathM:...d40eb45109b0 |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | GFEGVAHWRJERLS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-3-5-7-19-28-36-47-48(68-47)37-29-24-23-27-35-46(58)54(64)66-42-43(67-50(60)39-31-21-16-14-12-10-8-9-11-13-15-17-25-32-40-55)41-65-49(59)38-30-22-18-20-26-34-45(57)52(62)53(63)51(61)44(56)33-6-4-2/h8-9,13,15,19,28,43-48,51-53,55-58,61-63H,3-7,10-12,14,16-18,20-27,29-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC(O)C(O)C(O)C(O)C(O)CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-3-5-7-19-28-36-47-48(68-47)37-29-24-23-27-35-46(58)54(64)66-42-43(67-50(60)39-31-21-16-14-12-10-8-9-11-13-15-17-25-32-40-55)41-65-49(59)38-30-22-18-20-26-34-45(57)52(62)53(63)51(61)44(56)33-6-4-2/h8-9,13,15,19,28,43-48,51-53,55-58,61-63H,3-7,10-12,14,16-18,20-27,29-42H2,1-2H3/b9-8?,15-13?,28-19?/t43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:19]=[CH:28][CH2:36][CH:47]1[CH:48]([CH2:37][CH2:29][CH2:24][CH2:23][CH2:27][CH2:35][CH:46]([C:54](=[O:64])[O:66][CH2:42][CH:43]([CH2:41][O:65][C:49]([CH2:38][CH2:30][CH2:22][CH2:18][CH2:20][CH2:26][CH2:34][CH:45]([CH:52]([CH:53]([CH:51]([CH:44]([CH2:33][CH2:6][CH2:4][CH3:2])[OH:56])[OH:61])[OH:63])[OH:62])[OH:57])=[O:59])[O:67][C:50]([CH2:39][CH2:31][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:25][CH2:32][CH2:40][OH:55])=[O:60])[OH:58])[O:68]1 |
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