| Properties | Image |
|---|
| MNX_ID | MNXM1191529 |
 |
| reference | envipathM:...f825a508a35b |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | QAJBNUCTXCUBQV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-23-30-43(57)52-53(68-52)44(58)31-24-19-21-27-35-50(60)63-39-42(65-51(61)36-28-17-15-13-11-9-8-10-12-14-16-22-29-41(56)38-55)40-64-54(62)45(59)32-25-18-20-26-34-47-49(67-47)37-48-46(66-48)33-6-4-2/h8,10,14,16,23,30,41-49,52-53,55-59H,3-7,9,11-13,15,17-22,24-29,31-40H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1C(O)CCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-23-30-43(57)52-53(68-52)44(58)31-24-19-21-27-35-50(60)63-39-42(65-51(61)36-28-17-15-13-11-9-8-10-12-14-16-22-29-41(56)38-55)40-64-54(62)45(59)32-25-18-20-26-34-47-49(67-47)37-48-46(66-48)33-6-4-2/h8,10,14,16,23,30,41-49,52-53,55-59H,3-7,9,11-13,15,17-22,24-29,31-40H2,1-2H3/b10-8?,16-14?,30-23?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:23]=[CH:30][CH:43]([CH:52]1[CH:53]([CH:44]([CH2:31][CH2:24][CH2:19][CH2:21][CH2:27][CH2:35][C:50](=[O:60])[O:63][CH2:39][CH:42]([CH2:40][O:64][C:54]([CH:45]([CH2:32][CH2:25][CH2:18][CH2:20][CH2:26][CH2:34][CH:47]2[CH:49]([CH2:37][CH:48]3[CH:46]([CH2:33][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)[OH:59])=[O:62])[O:65][C:51]([CH2:36][CH2:28][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH:8]=[CH:10][CH2:12][CH:14]=[CH:16][CH2:22][CH2:29][CH:41]([CH2:38][OH:55])[OH:56])=[O:61])[OH:58])[O:68]1)[OH:57] |
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