| Properties | Image |
|---|
| MNX_ID | MNXM51504 |
 |
| reference | chebi:166694 |
| formula | C90H148O |
| global charge | 0 |
| mol weight | 1246.173 |
| InChIKey | WKJSZJBJNUWXFX-MULAYZFRSA-N |
| InChI | InChI=1S/C90H148O/c1-73(2)37-20-38-74(3)39-21-40-75(4)41-22-42-76(5)43-23-44-77(6)45-24-46-78(7)47-25-48-79(8)49-26-50-80(9)51-27-52-81(10)53-28-54-82(11)55-29-56-83(12)57-30-58-84(13)59-31-60-85(14)61-32-62-86(15)63-33-64-87(16)65-34-66-88(17)67-35-68-89(18)69-36-70-90(19)71-72-91/h37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,90-91H,20-36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70-72H2,1-19H3/b74-39+,75-41+,76-43-,77-45-,78-47-,79-49-,80-51-,81-53-,82-55-,83-57-,84-59-,85-61-,86-63-,87-65-,88-67-,89-69-/t90-/m0/s1 |
| 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\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC[C@H](C)CCO |
MNX internals
| InChI (mnx) | InChI=1/C90H148O/c1-73(2)37-20-38-74(3)39-21-40-75(4)41-22-42-76(5)43-23-44-77(6)45-24-46-78(7)47-25-48-79(8)49-26-50-80(9)51-27-52-81(10)53-28-54-82(11)55-29-56-83(12)57-30-58-84(13)59-31-60-85(14)61-32-62-86(15)63-33-64-87(16)65-34-66-88(17)67-35-68-89(18)69-36-70-90(19)71-72-91/h37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,90-91H,20-36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70-72H2,1-19H3/b74-39+,75-41+,76-43-,77-45-,78-47-,79-49-,80-51-,81-53-,82-55-,83-57-,84-59-,85-61-,86-63-,87-65-,88-67-,89-69-/t90-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:73]([CH3:2])=[CH:37][CH2:20][CH2:38]/[C:74]([CH3:3])=[CH:39]/[CH2:21][CH2:40]/[C:75]([CH3:4])=[CH:41]/[CH2:22][CH2:42]/[C:76]([CH3:5])=[CH:43]\[CH2:23][CH2:44]/[C:77]([CH3:6])=[CH:45]\[CH2:24][CH2:46]/[C:78]([CH3:7])=[CH:47]\[CH2:25][CH2:48]/[C:79]([CH3:8])=[CH:49]\[CH2:26][CH2:50]/[C:80]([CH3:9])=[CH:51]\[CH2:27][CH2:52]/[C:81]([CH3:10])=[CH:53]\[CH2:28][CH2:54]/[C:82]([CH3:11])=[CH:55]\[CH2:29][CH2:56]/[C:83]([CH3:12])=[CH:57]\[CH2:30][CH2:58]/[C:84]([CH3:13])=[CH:59]\[CH2:31][CH2:60]/[C:85]([CH3:14])=[CH:61]\[CH2:32][CH2:62]/[C:86]([CH3:15])=[CH:63]\[CH2:33][CH2:64]/[C:87]([CH3:16])=[CH:65]\[CH2:34][CH2:66]/[C:88]([CH3:17])=[CH:67]\[CH2:35][CH2:68]/[C:89]([CH3:18])=[CH:69]\[CH2:36][CH2:70][C@H:90]([CH3:19])[CH2:71][CH2:72][OH:91] |
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