| Properties | Image |
|---|
| MNX_ID | MNXM1175759 |
 |
| reference | envipathM:...6ecdf1631046 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | YYSDEZDNTQCMOG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-54(61)64-45(42-62-52(59)37-29-22-17-19-26-33-46(57)47(58)40-51-50(66-51)34-6-4-2)43-63-53(60)38-30-23-18-20-27-35-48-49(65-48)36-28-24-25-32-44(56)41-55/h8-9,11-12,24,28,44-45,47-51,55-56,58H,3-7,10,13-23,25-27,29-43H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)C(O)CC1OC1CCCC)COC(=O)CCCCCCCC1OC1CC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-54(61)64-45(42-62-52(59)37-29-22-17-19-26-33-46(57)47(58)40-51-50(66-51)34-6-4-2)43-63-53(60)38-30-23-18-20-27-35-48-49(65-48)36-28-24-25-32-44(56)41-55/h8-9,11-12,24,28,44-45,47-51,55-56,58H,3-7,10,13-23,25-27,29-43H2,1-2H3/b9-8?,12-11?,28-24?/t44?,45?,47?,48?,49?,50?,51? |
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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:54](=[O:61])[O:64][CH:45]([CH2:42][O:62][C:52]([CH2:37][CH2:29][CH2:22][CH2:17][CH2:19][CH2:26][CH2:33][C:46]([CH:47]([CH2:40][CH:51]1[CH:50]([CH2:34][CH2:6][CH2:4][CH3:2])[O:66]1)[OH:58])=[O:57])=[O:59])[CH2:43][O:63][C:53]([CH2:38][CH2:30][CH2:23][CH2:18][CH2:20][CH2:27][CH2:35][CH:48]1[CH:49]([CH2:36][CH:28]=[CH:24][CH2:25][CH2:32][CH:44]([CH2:41][OH:55])[OH:56])[O:65]1)=[O:60] |
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