| Properties | Image |
|---|
| MNX_ID | MNXM1174676 |
 |
| reference | envipathM:...751a68fba80c |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | SBRWETXBJWZGMZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-16-26-35-48-49(66-48)36-27-21-19-25-34-46(58)54(62)64-41-43(65-52(61)38-29-18-15-13-11-10-12-14-17-23-31-42(55)30-6-3)40-63-51(60)37-28-22-20-24-33-45(57)53-50(67-53)39-47(59)44(56)32-8-5-2/h12,14,16,23,26,31,42-44,46-50,53,55-56,58-59H,4-11,13,15,17-22,24-25,27-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCC(=O)C1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-16-26-35-48-49(66-48)36-27-21-19-25-34-46(58)54(62)64-41-43(65-52(61)38-29-18-15-13-11-10-12-14-17-23-31-42(55)30-6-3)40-63-51(60)37-28-22-20-24-33-45(57)53-50(67-53)39-47(59)44(56)32-8-5-2/h12,14,16,23,26,31,42-44,46-50,53,55-56,58-59H,4-11,13,15,17-22,24-25,27-30,32-41H2,1-3H3/b14-12?,26-16?,31-23?/t42?,43?,44?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:16]=[CH:26][CH2:35][CH:48]1[CH:49]([CH2:36][CH2:27][CH2:21][CH2:19][CH2:25][CH2:34][CH:46]([C:54](=[O:62])[O:64][CH2:41][CH:43]([CH2:40][O:63][C:51]([CH2:37][CH2:28][CH2:22][CH2:20][CH2:24][CH2:33][C:45]([CH:53]2[CH:50]([CH2:39][CH:47]([CH:44]([CH2:32][CH2:8][CH2:5][CH3:2])[OH:56])[OH:59])[O:67]2)=[O:57])=[O:60])[O:65][C:52]([CH2:38][CH2:29][CH2:18][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:17][CH:23]=[CH:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])=[O:61])[OH:58])[O:66]1 |
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