Details
Stereochemistry | RACEMIC |
Molecular Formula | C28H33O8.Na |
Molecular Weight | 520.5466 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CCCC1=C(OCCCCCOC2=C(C=C3CCC(OC3=C2)C([O-])=O)C(C)=O)C=CC(C(C)=O)=C1O
InChI
InChIKey=IQXFQHXFCSOQGI-UHFFFAOYSA-M
InChI=1S/C28H34O8.Na/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33;/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33);/q;+1/p-1
Approval Year
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C29712
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admin on Fri Dec 15 15:51:09 UTC 2023 , Edited by admin on Fri Dec 15 15:51:09 UTC 2023
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CHEMBL22016
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Y-18
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37BXZ0J2RT
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C83514
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DTXSID30914449
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23694472
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96565-55-8
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admin on Fri Dec 15 15:51:09 UTC 2023 , Edited by admin on Fri Dec 15 15:51:09 UTC 2023
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ACTIVE MOIETY
SUBSTANCE RECORD