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YK-11

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Concentration
10 mg per mL
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This product is prepared for LABORATORY RESEARCH USE ONLY and may not be used for other purposes.

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Properties

Molecular Formula C25H34O6
Molecular Weight 430.5
Monoisotopic Mass 430.23553880
Polar Area 71.1
Complexity 860
XLogP 3.1
Heavy Atom Count 31
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Physical Appearance Clear Liquid
Stability Room Temperature
PubChem LCSS YK-11 Laboratory Chemical Safety Summary

Identifiers

CID 101524490
CAS 1370003-76-1
InChI InChI=1S/C25H34O6/c1-23-11-9-18-17-8-6-16(26)13-15(17)5-7-19(18)20(23)10-12-25(23)21(14-22(27)28-3)30-24(2, 29-4)31-25/h13-14, 17-20H, 5-12H2, 1-4H3/b21-14+/t17-, 18+, 19+, 20-, 23-, 24?, 25-/m0/s1
InChIKey KCQHQCDHFVGNMK-DEIKBOPOSA-N
Isomeric SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]24/C(=C\C(=O)OC)/OC(O4)(C)OC)CCC5=CC(=O)CC[C@H]35
Canonical SMILES CC12CCC3C(C1CCC24C(=CC(=O)OC)OC(O4)(C)OC)CCC5=CC(=O)CCC35
IUPAC Name methyl (2E)-2-[(8R, 9S, 10R, 13S, 14S, 17R)-2'-methoxy-2', 13-dimethyl-3-oxospiro[1, 2, 6, 7, 8, 9, 10, 11, 12, 14, 15, 16-dodecahydrocyclopenta[a]phenanthrene-17, 5'-1, 3-dioxolane]-4'-ylidene]acetate

2D Structure

Generated by Extreme Peptide with Open Babel, version 2.3.1, http://openbabel.org (accessed June 28, 2022)

YK-11 2D molecular structure vector generated with oBabel

3D Structure

Interactive 3D representation of YK-11 (CID 101524490)

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