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YK-11

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SKU: EX185191-10MG Category:
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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
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

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