| Properties | Image |
|---|
| MNX_ID | MNXM1174866 |
 |
| reference | envipathM:...34517be00df0 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | ZHENBRKQUCKBCH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-10-15-23-34-45-46(66-45)35-24-18-14-19-25-36-50(59)63-38-41(65-54(62)44(58)31-22-17-13-12-16-21-29-40(55)28-20-11-8-5-2)39-64-53(61)43(57)32-27-26-30-42(56)51(60)52-49(68-52)37-48-47(67-48)33-9-6-3/h15,20-21,23,28-29,40-49,51-52,55-58,60H,4-14,16-19,22,24-27,30-39H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCC(O)C(O)C1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-10-15-23-34-45-46(66-45)35-24-18-14-19-25-36-50(59)63-38-41(65-54(62)44(58)31-22-17-13-12-16-21-29-40(55)28-20-11-8-5-2)39-64-53(61)43(57)32-27-26-30-42(56)51(60)52-49(68-52)37-48-47(67-48)33-9-6-3/h15,20-21,23,28-29,40-49,51-52,55-58,60H,4-14,16-19,22,24-27,30-39H2,1-3H3/b23-15?,28-20?,29-21?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,51?,52? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:15]=[CH:23][CH2:34][CH:45]1[CH:46]([CH2:35][CH2:24][CH2:18][CH2:14][CH2:19][CH2:25][CH2:36][C:50](=[O:59])[O:63][CH2:38][CH:41]([CH2:39][O:64][C:53]([CH:43]([CH2:32][CH2:27][CH2:26][CH2:30][CH:42]([CH:51]([CH:52]2[CH:49]([CH2:37][CH:48]3[CH:47]([CH2:33][CH2:9][CH2:6][CH3:3])[O:67]3)[O:68]2)[OH:60])[OH:56])[OH:57])=[O:61])[O:65][C:54]([CH:44]([CH2:31][CH2:22][CH2:17][CH2:13][CH2:12][CH2:16][CH:21]=[CH:29][CH:40]([CH:28]=[CH:20][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:58])=[O:62])[O:66]1 |
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