| Properties | Image |
|---|
| MNX_ID | MNXM1139104 |
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| reference | envipathM:...fb20f487b1ec |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | JPBLXADZMPPQOX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-11-23-32-47-52(67-47)44(58)29-20-14-17-24-33-50(60)63-38-42(65-51(61)34-25-16-12-19-28-41(56)36-35-40(55)27-18-10-8-5-2)39-64-54(62)45(59)30-21-13-15-22-31-46-48(66-46)37-49-53(68-49)43(57)26-6-3/h11,18,23,27,35-36,40-49,52-53,55-59H,4-10,12-17,19-22,24-26,28-34,37-39H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCC(O)C=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-11-23-32-47-52(67-47)44(58)29-20-14-17-24-33-50(60)63-38-42(65-51(61)34-25-16-12-19-28-41(56)36-35-40(55)27-18-10-8-5-2)39-64-54(62)45(59)30-21-13-15-22-31-46-48(66-46)37-49-53(68-49)43(57)26-6-3/h11,18,23,27,35-36,40-49,52-53,55-59H,4-10,12-17,19-22,24-26,28-34,37-39H2,1-3H3/b23-11?,27-18?,36-35?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:23][CH2:32][CH:47]1[CH:52]([CH:44]([CH2:29][CH2:20][CH2:14][CH2:17][CH2:24][CH2:33][C:50](=[O:60])[O:63][CH2:38][CH:42]([CH2:39][O:64][C:54]([CH:45]([CH2:30][CH2:21][CH2:13][CH2:15][CH2:22][CH2:31][CH:46]2[CH:48]([CH2:37][CH:49]3[CH:53]([CH:43]([CH2:26][CH2:6][CH3:3])[OH:57])[O:68]3)[O:66]2)[OH:59])=[O:62])[O:65][C:51]([CH2:34][CH2:25][CH2:16][CH2:12][CH2:19][CH2:28][CH:41]([CH:36]=[CH:35][CH:40]([CH:27]=[CH:18][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:61])[OH:58])[O:67]1 |
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