| Properties | Image |
|---|
| MNX_ID | MNXM8525 |
 |
| reference | chebi:84551 |
| formula | C70H104O2 |
| global charge | 0 |
| mol weight | 977.6 |
| InChIKey | NKCMHMXWLADGOV-RVHIBIGXSA-N |
| InChI | InChI=1S/C70H104O2/c1-54(2)27-16-28-55(3)29-17-30-56(4)31-18-32-57(5)33-19-34-58(6)35-20-36-59(7)37-21-38-60(8)39-22-40-61(9)41-23-42-62(10)43-24-44-63(11)45-25-46-64(12)47-26-48-65(13)51-52-66-53-69(71)67-49-14-15-50-68(67)70(66)72/h14-15,27,29,31,33,35,37,39,41,43,45,47,49-51,53,71-72H,16-26,28,30,32,34,36,38,40,42,44,46,48,52H2,1-13H3/b55-29+,56-31+,57-33+,58-35+,59-37+,60-39+,61-41+,62-43+,63-45+,64-47+,65-51+ |
| 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/CC1=CC(O)=C2C=CC=CC2=C1O |
MNX internals
| InChI (mnx) | InChI=1/C70H104O2/c1-54(2)27-16-28-55(3)29-17-30-56(4)31-18-32-57(5)33-19-34-58(6)35-20-36-59(7)37-21-38-60(8)39-22-40-61(9)41-23-42-62(10)43-24-44-63(11)45-25-46-64(12)47-26-48-65(13)51-52-66-53-69(71)67-49-14-15-50-68(67)70(66)72/h14-15,27,29,31,33,35,37,39,41,43,45,47,49-51,53,71-72H,16-26,28,30,32,34,36,38,40,42,44,46,48,52H2,1-13H3/b55-29+,56-31+,57-33+,58-35+,59-37+,60-39+,61-41+,62-43+,63-45+,64-47+,65-51+ |
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| SMILES (mnx) | [CH3:1][C:54]([CH3:2])=[CH:27][CH2:16][CH2:28]/[C:55]([CH3:3])=[CH:29]/[CH2:17][CH2:30]/[C:56]([CH3:4])=[CH:31]/[CH2:18][CH2:32]/[C:57]([CH3:5])=[CH:33]/[CH2:19][CH2:34]/[C:58]([CH3:6])=[CH:35]/[CH2:20][CH2:36]/[C:59]([CH3:7])=[CH:37]/[CH2:21][CH2:38]/[C:60]([CH3:8])=[CH:39]/[CH2:22][CH2:40]/[C:61]([CH3:9])=[CH:41]/[CH2:23][CH2:42]/[C:62]([CH3:10])=[CH:43]/[CH2:24][CH2:44]/[C:63]([CH3:11])=[CH:45]/[CH2:25][CH2:46]/[C:64]([CH3:12])=[CH:47]/[CH2:26][CH2:48]/[C:65]([CH3:13])=[CH:51]/[CH2:52][C:66]1=[C:70]([OH:72])[C:68]2=[CH:50][CH:15]=[CH:14][CH:49]=[C:67]2[C:69]([OH:71])=[CH:53]1 |
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