| Properties | Image |
|---|
| MNX_ID | MNXM8068 |
 |
| reference | chebi:84522 |
| formula | C52H80O2 |
| global charge | 0 |
| mol weight | 737.21 |
| InChIKey | XRYXRAOXVPWHHK-SSRAZKMSSA-N |
| InChI | InChI=1S/C52H80O2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)39-40-50-37-20-38-51(54-11)52(50)53/h20-21,23,25,27,29,31,33,35,37-39,53H,12-19,22,24,26,28,30,32,34,36,40H2,1-11H3/b42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+,49-39+ |
| SMILES | COC1=C(O)C(C/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)CCC=C(C)C)=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C52H80O2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)39-40-50-37-20-38-51(54-11)52(50)53/h20-21,23,25,27,29,31,33,35,37-39,53H,12-19,22,24,26,28,30,32,34,36,40H2,1-11H3/b42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+,49-39+ |
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| SMILES (mnx) | [CH3:1][C:41]([CH3:2])=[CH:21][CH2:12][CH2:22]/[C:42]([CH3:3])=[CH:23]/[CH2:13][CH2:24]/[C:43]([CH3:4])=[CH:25]/[CH2:14][CH2:26]/[C:44]([CH3:5])=[CH:27]/[CH2:15][CH2:28]/[C:45]([CH3:6])=[CH:29]/[CH2:16][CH2:30]/[C:46]([CH3:7])=[CH:31]/[CH2:17][CH2:32]/[C:47]([CH3:8])=[CH:33]/[CH2:18][CH2:34]/[C:48]([CH3:9])=[CH:35]/[CH2:19][CH2:36]/[C:49]([CH3:10])=[CH:39]/[CH2:40][C:50]1=[C:52]([OH:53])[C:51]([O:54][CH3:11])=[CH:38][CH:20]=[CH:37]1 |
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