| Properties | Image |
|---|
| MNX_ID | MNXM1184513 |
 |
| reference | envipathM:...6b66d149c5bc |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | TYAJJLRRIFOOOZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-8-15-25-34-46-47(66-46)35-26-18-14-19-27-36-50(60)63-38-41(65-54(62)45(59)33-22-17-13-11-9-10-12-16-21-30-40(55)28-5-2)39-64-53(61)44(58)32-24-20-23-31-43(57)52-49(68-52)37-48-51(67-48)42(56)29-6-3/h10,12,15,21,25,30,40-49,51-52,55-59H,4-9,11,13-14,16-20,22-24,26-29,31-39H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCC(O)C1OC1CC1OC1C(O)CCC)OC(=O)C(O)CCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-8-15-25-34-46-47(66-46)35-26-18-14-19-27-36-50(60)63-38-41(65-54(62)45(59)33-22-17-13-11-9-10-12-16-21-30-40(55)28-5-2)39-64-53(61)44(58)32-24-20-23-31-43(57)52-49(68-52)37-48-51(67-48)42(56)29-6-3/h10,12,15,21,25,30,40-49,51-52,55-59H,4-9,11,13-14,16-20,22-24,26-29,31-39H2,1-3H3/b12-10?,25-15?,30-21?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,51?,52? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:15]=[CH:25][CH2:34][CH:46]1[CH:47]([CH2:35][CH2:26][CH2:18][CH2:14][CH2:19][CH2:27][CH2:36][C:50](=[O:60])[O:63][CH2:38][CH:41]([CH2:39][O:64][C:53]([CH:44]([CH2:32][CH2:24][CH2:20][CH2:23][CH2:31][CH:43]([CH:52]2[CH:49]([CH2:37][CH:48]3[CH:51]([CH:42]([CH2:29][CH2:6][CH3:3])[OH:56])[O:67]3)[O:68]2)[OH:57])[OH:58])=[O:61])[O:65][C:54]([CH:45]([CH2:33][CH2:22][CH2:17][CH2:13][CH2:11][CH2:9][CH:10]=[CH:12][CH2:16][CH:21]=[CH:30][CH:40]([CH2:28][CH2:5][CH3:2])[OH:55])[OH:59])=[O:62])[O:66]1 |
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