| Properties | Image |
|---|
| MNX_ID | MNXM12234 |
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| reference | chebi:84541 |
| formula | C56H82O2 |
| global charge | 0 |
| mol weight | 787.27 |
| InChIKey | KNWZIPKBOGOFFC-UVZVDVBNSA-N |
| InChI | InChI=1S/C56H82O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,34,36,38-40,57-58H,14-21,23,25,27,29,31,33,35,37,41H2,1-11H3/b43-24+,44-26+,45-28+,46-30+,47-32+,48-34+,49-36+,50-40+ |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(O)=C2C=CC=CC2=C1O |
MNX internals
| InChI (mnx) | InChI=1/C56H82O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,34,36,38-40,57-58H,14-21,23,25,27,29,31,33,35,37,41H2,1-11H3/b43-24+,44-26+,45-28+,46-30+,47-32+,48-34+,49-36+,50-40+ |
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| SMILES (mnx) | [CH3:1][C:42]([CH3:2])=[CH:22][CH2:14][CH2:23]/[C:43]([CH3:3])=[CH:24]/[CH2:15][CH2:25]/[C:44]([CH3:4])=[CH:26]/[CH2:16][CH2:27]/[C:45]([CH3:5])=[CH:28]/[CH2:17][CH2:29]/[C:46]([CH3:6])=[CH:30]/[CH2:18][CH2:31]/[C:47]([CH3:7])=[CH:32]/[CH2:19][CH2:33]/[C:48]([CH3:8])=[CH:34]/[CH2:20][CH2:35]/[C:49]([CH3:9])=[CH:36]/[CH2:21][CH2:37]/[C:50]([CH3:10])=[CH:40]/[CH2:41][C:52]1=[C:56]([OH:58])[C:54]2=[CH:39][CH:13]=[CH:12][CH:38]=[C:53]2[C:55]([OH:57])=[C:51]1[CH3:11] |
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