Chemical Properties of Tazettine (CAS 507-79-9)

InChI

InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3

InChI Key

YLWAQARRNQVEHD-UHFFFAOYSA-N

Formula

C18H21NO5

SMILES

COC1C=CC23c4cc5c(cc4COC2(O)CN(C)C3C1)OCO5

Molecular Weight¹

331.36

CAS

507-79-9

Other Names

• Sekisanin
• Sekisanolin
• Sekisanoline
• Tazetine
• Tazettin
• Ungernin
• Ungernine
• 8H-[1,3]Dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a(3H)-ol, 4,4a,5,6-tetrahydro-3-methoxy-5-methyl-, (3S,4aS,6aS,13bS)-
• 8H-[1,3]Dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a(3H)-ol, 4,4a,5,6-tetrahydro-3-methoxy-5-methyl-, [3S-(3«alpha»,4a«alpha»,6a«beta»,13bR*)]-
• Sekisanine
• [3S-(3«alpha»,4a«alpha»,6a«beta»,13bR*)]-4,4a,5,6-Tetrahydro-3-methoxy-5-methyl-8H-[1,3]dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a(3H)-ol
• NSC 115495
• NSC 652297

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Tazettine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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