71761-06-3

Basic information

• Product Name: (5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3β-ol
• Synonyms: (5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3β-ol;Vitamin D5
• CAS NO: 71761-06-3
• Molecular Formula: C₂₉H₄₈O
• Molecular Weight: 412.69082
• Mol File: 71761-06-3.mol
• Article Data: 3

Chemical Properties

• Melting Point: 105-106 °C
• Boiling Point: 517°Cat760mmHg
• Flash Point: 225.1°C
• Appearance: /
• Density: 0.96g/cm³
• Vapor Pressure: 7.52E-13mmHg at 25°C
• Refractive Index: 1.519
• PKA: 14.74±0.20(Predicted)
• CAS DataBase Reference: (5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3β-ol(CAS DataBase Reference)
• NIST Chemistry Reference: (5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3β-ol(71761-06-3)
• EPA Substance Registry System: (5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3β-ol(71761-06-3)

Safety Data

• Hazardous Substances Data: 71761-06-3(Hazardous Substances Data)

Usage

Uses

Vitamin D5 is used in the synthetic preparation of 1α-Hydroxyvitamin D5 a promising chemopreventive agent for breast cancer.

Definition

ChEBI: A vitamin D in which the side-chain at position 17 consists of a (5R)-5-ethyl-6-methylheptan-2-yl group.

InChI:InChI=1/C29H48O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h13-14,20,22-23,26-28,30H,4,7-12,15-19H2,1-3,5-6H3/b24-13+,25-14-/t22-,23-,26-,27-,28+,29-/m1/s1

Upstream product

• 6020-61-7 3β-O-acetyl-5,7-dienesitosterol 
• 915-05-9 stigmast-5-en-3-yl acetate 
• 54200-16-7 Acetic acid (3S,8S,9S,10R,13R,14S,17R)-7-bromo-17-((1R,4R)-4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester 
• 865539-85-1 Acetic acid (S)-3-[2-[(1R,3aS,7aR)-1-((1R,4R)-4-ethyl-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-4-methylene-cyclohexyl ester 
• 521-04-0 Δ⁵-stigmasterol 
• 59157-68-5 3β,7β-dibenzoyloxy-stigmastene-(5) 
• 4863-54-1 5-stigmasten-3β,7β-diol 
• 521-04-0 stigmastadien-(5.7)-ol-(3β) 
• 71-43-2 benzene 

Downstream Products

• 865539-87-3 9,10-seco-stigmasta-5(E),7(E),10(19)-trien-3β-ol 
• 865539-88-4 3β-triethylsilyloxy-9,10-seco-stigmasta-5(E),7(E),10(19)-triene 

Relevant articles and documents

1α-Hydroxyvitamin D5, its synthesis and use in cancer prevention

A compound of formula I: wherein R1 is hydrogen, R2 is —CH3, R3 is —CH3, and R4 is hydrogen, useful in cancer prevention and therapy.

SYNTHESIS AND BIOLOGICAL ACTIVITY OF VITAMIN D5 AND ITS 3&β-FLUORO-DERIVATIVE

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