76612-30-1

Basic information

• Product Name: 17-methyl-D-homoandrostane-3,17-diol
• Synonyms: 17-methyl-D-homoandrostane-3,17-diol
• CAS NO: 76612-30-1
• Molecular Formula: C₂₁H₃₆O₂
• Molecular Weight: 320.50934
• Mol File: 76612-30-1.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 437.2°C at 760 mmHg
• Flash Point: 191.7°C
• Appearance: /
• Density: 1.047g/cm³
• Vapor Pressure: 1.77E-09mmHg at 25°C
• Refractive Index: 1.528
• CAS DataBase Reference: 17-methyl-D-homoandrostane-3,17-diol(CAS DataBase Reference)
• NIST Chemistry Reference: 17-methyl-D-homoandrostane-3,17-diol(76612-30-1)
• EPA Substance Registry System: 17-methyl-D-homoandrostane-3,17-diol(76612-30-1)

Safety Data

• Hazardous Substances Data: 76612-30-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C21H36O2/c1-13-4-7-17-16-6-5-14-12-15(22)8-10-20(14,2)18(16)9-11-21(17,3)19(13)23/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16+,17+,18+,19+,20+,21+/m1/s1

Upstream product

• 68157-67-5 5β-pregnane-3α,20α-diol disulfate dipotassium salt 

Relevant articles and documents

Mechanism of the D-Homoannulation of Pregnanediol Disulfate in Refluxing 3 N Hydrochloric acid

In order to elucidate the mechanism of D-homoannulation of pregnanediol 20-sulfate, solvolysis of -5β-pregnane-3α,20α-diol disulfate (3) in refluxing 3 N hydrochloric acid was investigated.The resulting D-homosteroids, 17percenta-methyl-D-homo-5β-androstane-3α,17aβ-diol (8) and 17α-methyl-17aβ-chloro-D-homo-5β-androstan-3α-ol (10), contained a quantitative amount of (13)C only at C-17, indicating that the ring-enlargement reaction of the 20α-ol sulfate proceeded with stereospecific migration of the C16-C17 bond.The same result was obtained from isomeric -5β-pregnane-3α,20β-diol disulfate (6).Based on these results,the D-homoannulation of pregnanediol 20-sulfate was concluded to proceed by a stepwise mechanism through the C-20 carbocation.The stereochemistry of this Wagner-Meerwein type rearrangement reaction is also discussed. Keywords --- 5β-pregnane-3α,20α-diol (pregnanediol); pregnanediol disulfate; 5β-pregnane-3α,20β-diol; D-homoannulation; stereochemistry; steroidal sulfate; acid hydrolysis; (13)C-NMR

Confirmation of the involvement of C20-carbonium cation during the hot acid hydrolysis of pregnanediol disulfate. (Clinical analysis on steroids. XXIII)

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