Chemical Properties of Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)- (CAS 466-75-1)

InChI

InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3

InChI Key

YGPRSGKVLATIHT-UHFFFAOYSA-N

Formula

C17H19NO4

SMILES

COC1C=CC23c4cc5c(cc4CN(CC2O)C3C1)OCO5

Molecular Weight¹

301.34

CAS

466-75-1

Other Names

• 4a«beta»,5«alpha»,11b«alpha»-Crinan-12-ol, 1,2-didehydro-3«beta»-methoxy-, (12R)-
• Crinan-18-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«beta»,6«alpha»,17«alpha»,18R)-
• Natalensin
• Natalensine
• 3-Epicrinamine
• 3H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine, crinan-18-ol deriv.
• (3S,4aS,5S,11bS,12R)-3-Methoxy-3,4,4a,6-tetrahydro-11b,5-ethano[1,3]dioxolo[4,5-j]phenanthridin-12-ol

• 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 Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-.

Sources

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

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