| Properties | Image |
MNX_ID | MNXM733461 |
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reference | chebi:18162 |
formula | C52H78O3 |
global charge | 0 |
mol weight | 751.193 |
InChIKey | YIXNPXUQGCNFPX-RTPSYSNVSA-N |
InChI | InChI=1S/C52H78O3/c1-41(2)19-11-20-42(3)21-12-22-43(4)23-13-24-44(5)25-14-26-45(6)27-15-28-46(7)29-16-30-47(8)31-17-32-48(9)33-18-34-49(10)39-40-55-52(54)50-35-37-51(53)38-36-50/h19,21,23,25,27,29,31,33,35-39,53H,11-18,20,22,24,26,28,30,32,34,40H2,1-10H3/b42-21+,43-23+,44-25+,45-27+,46-29+,47-31+,48-33+,49-39+ |
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/COC(=O)C1=CC=C(O)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C52H78O3/c1-41(2)19-11-20-42(3)21-12-22-43(4)23-13-24-44(5)25-14-26-45(6)27-15-28-46(7)29-16-30-47(8)31-17-32-48(9)33-18-34-49(10)39-40-55-52(54)50-35-37-51(53)38-36-50/h19,21,23,25,27,29,31,33,35-39,53H,11-18,20,22,24,26,28,30,32,34,40H2,1-10H3/b42-21+,43-23+,44-25+,45-27+,46-29+,47-31+,48-33+,49-39+ |
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SMILES (mnx) | [CH3:1][C:41]([CH3:2])=[CH:19][CH2:11][CH2:20]/[C:42]([CH3:3])=[CH:21]/[CH2:12][CH2:22]/[C:43]([CH3:4])=[CH:23]/[CH2:13][CH2:24]/[C:44]([CH3:5])=[CH:25]/[CH2:14][CH2:26]/[C:45]([CH3:6])=[CH:27]/[CH2:15][CH2:28]/[C:46]([CH3:7])=[CH:29]/[CH2:16][CH2:30]/[C:47]([CH3:8])=[CH:31]/[CH2:17][CH2:32]/[C:48]([CH3:9])=[CH:33]/[CH2:18][CH2:34]/[C:49]([CH3:10])=[CH:39]/[CH2:40][O:55][C:52]([C:50]1=[CH:36][CH:38]=[C:51]([OH:53])[CH:37]=[CH:35]1)=[O:54] |
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