| Properties | Image |
|---|
| MNX_ID | MNXM8526 |
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| reference | chebi:84553 |
| formula | C75H112O2 |
| global charge | 0 |
| mol weight | 1045.719 |
| InChIKey | HPJVTYODWHYFMV-ZNWIKROFSA-N |
| InChI | InChI=1S/C75H112O2/c1-58(2)29-17-30-59(3)31-18-32-60(4)33-19-34-61(5)35-20-36-62(6)37-21-38-63(7)39-22-40-64(8)41-23-42-65(9)43-24-44-66(10)45-25-46-67(11)47-26-48-68(12)49-27-50-69(13)51-28-52-70(14)55-56-71-57-74(76)72-53-15-16-54-73(72)75(71)77/h15-16,29,31,33,35,37,39,41,43,45,47,49,51,53-55,57,76-77H,17-28,30,32,34,36,38,40,42,44,46,48,50,52,56H2,1-14H3/b59-31+,60-33+,61-35+,62-37+,63-39+,64-41+,65-43+,66-45+,67-47+,68-49+,69-51+,70-55+ |
| 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/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(O)=C2C=CC=CC2=C1O |
MNX internals
| InChI (mnx) | InChI=1/C75H112O2/c1-58(2)29-17-30-59(3)31-18-32-60(4)33-19-34-61(5)35-20-36-62(6)37-21-38-63(7)39-22-40-64(8)41-23-42-65(9)43-24-44-66(10)45-25-46-67(11)47-26-48-68(12)49-27-50-69(13)51-28-52-70(14)55-56-71-57-74(76)72-53-15-16-54-73(72)75(71)77/h15-16,29,31,33,35,37,39,41,43,45,47,49,51,53-55,57,76-77H,17-28,30,32,34,36,38,40,42,44,46,48,50,52,56H2,1-14H3/b59-31+,60-33+,61-35+,62-37+,63-39+,64-41+,65-43+,66-45+,67-47+,68-49+,69-51+,70-55+ |
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| SMILES (mnx) | [CH3:1][C:58]([CH3:2])=[CH:29][CH2:17][CH2:30]/[C:59]([CH3:3])=[CH:31]/[CH2:18][CH2:32]/[C:60]([CH3:4])=[CH:33]/[CH2:19][CH2:34]/[C:61]([CH3:5])=[CH:35]/[CH2:20][CH2:36]/[C:62]([CH3:6])=[CH:37]/[CH2:21][CH2:38]/[C:63]([CH3:7])=[CH:39]/[CH2:22][CH2:40]/[C:64]([CH3:8])=[CH:41]/[CH2:23][CH2:42]/[C:65]([CH3:9])=[CH:43]/[CH2:24][CH2:44]/[C:66]([CH3:10])=[CH:45]/[CH2:25][CH2:46]/[C:67]([CH3:11])=[CH:47]/[CH2:26][CH2:48]/[C:68]([CH3:12])=[CH:49]/[CH2:27][CH2:50]/[C:69]([CH3:13])=[CH:51]/[CH2:28][CH2:52]/[C:70]([CH3:14])=[CH:55]/[CH2:56][C:71]1=[C:75]([OH:77])[C:73]2=[CH:54][CH:16]=[CH:15][CH:53]=[C:72]2[C:74]([OH:76])=[CH:57]1 |
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