| Properties | Image |
|---|
| MNX_ID | MNXM1195455 |
 |
| reference | envipathM:...7826a9629036 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | NNUZCSBBLJBNBS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-17-23-32-44-45(66-44)33-24-19-16-21-25-35-50(58)63-38-40(65-51(59)36-26-20-15-13-11-10-12-14-18-22-29-42(56)41(55)6-3)39-64-54(62)53(61)52(60)43(57)30-27-28-34-47-49(68-47)37-48-46(67-48)31-8-5-2/h12,14,17,22-23,29,40-49,52-53,55-57,60-61H,4-11,13,15-16,18-21,24-28,30-39H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)C(O)C(O)CCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-17-23-32-44-45(66-44)33-24-19-16-21-25-35-50(58)63-38-40(65-51(59)36-26-20-15-13-11-10-12-14-18-22-29-42(56)41(55)6-3)39-64-54(62)53(61)52(60)43(57)30-27-28-34-47-49(68-47)37-48-46(67-48)31-8-5-2/h12,14,17,22-23,29,40-49,52-53,55-57,60-61H,4-11,13,15-16,18-21,24-28,30-39H2,1-3H3/b14-12?,23-17?,29-22?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:23][CH2:32][CH:44]1[CH:45]([CH2:33][CH2:24][CH2:19][CH2:16][CH2:21][CH2:25][CH2:35][C:50](=[O:58])[O:63][CH2:38][CH:40]([CH2:39][O:64][C:54]([CH:53]([CH:52]([CH:43]([CH2:30][CH2:27][CH2:28][CH2:34][CH:47]2[CH:49]([CH2:37][CH:48]3[CH:46]([CH2:31][CH2:8][CH2:5][CH3:2])[O:67]3)[O:68]2)[OH:57])[OH:60])[OH:61])=[O:62])[O:65][C:51]([CH2:36][CH2:26][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH:22]=[CH:29][CH:42]([CH:41]([CH2:6][CH3:3])[OH:55])[OH:56])=[O:59])[O:66]1 |
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