| Properties | Image |
|---|
| MNX_ID | MNXM1179148 |
 |
| reference | envipathM:...1c53a3dced31 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | UKEFYUMSJRSFSJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-29-35-49(60)65-40(38-63-48(59)34-28-22-19-20-26-33-47-53(68-47)50(61)52-46(67-52)31-8-5-2)39-64-54(62)44(58)30-25-23-24-27-32-45-51(66-45)43(57)37-36-42(56)41(55)6-3/h10-11,13-14,36-37,40-47,50-53,55-58,61H,4-9,12,15-35,38-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1C(O)C=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-29-35-49(60)65-40(38-63-48(59)34-28-22-19-20-26-33-47-53(68-47)50(61)52-46(67-52)31-8-5-2)39-64-54(62)44(58)30-25-23-24-27-32-45-51(66-45)43(57)37-36-42(56)41(55)6-3/h10-11,13-14,36-37,40-47,50-53,55-58,61H,4-9,12,15-35,38-39H2,1-3H3/b11-10?,14-13?,37-36?/t40?,41?,42?,43?,44?,45?,46?,47?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:29][CH2:35][C:49](=[O:60])[O:65][CH:40]([CH2:38][O:63][C:48]([CH2:34][CH2:28][CH2:22][CH2:19][CH2:20][CH2:26][CH2:33][CH:47]1[CH:53]([CH:50]([CH:52]2[CH:46]([CH2:31][CH2:8][CH2:5][CH3:2])[O:67]2)[OH:61])[O:68]1)=[O:59])[CH2:39][O:64][C:54]([CH:44]([CH2:30][CH2:25][CH2:23][CH2:24][CH2:27][CH2:32][CH:45]1[CH:51]([CH:43]([CH:37]=[CH:36][CH:42]([CH:41]([CH2:6][CH3:3])[OH:55])[OH:56])[OH:57])[O:66]1)[OH:58])=[O:62] |
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