Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Pachymic acid

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

Pachymic acid

EINECS N/A
CAS No. 29070-92-6 Density 1.1 g/cm3
PSA 83.83000 LogP 7.33140
Solubility N/A Melting Point 300 °C(Solv: methanol (67-56-1); acetone (67-64-1))
Formula C33H52O5 Boiling Point 612.2 °C at 760 mmHg
Molecular Weight 528.773 Flash Point 184.7 °C
Transport Information N/A Appearance White Powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 29070-92-6 (Pachymic acid) Hazard Symbols N/A
Synonyms

Eburica-8,24(28)-dien-21-oicacid, 3b,16a-dihydroxy-, 3-acetate (6CI);Lanost-8-en-21-oic acid,3b,16a-dihydroxy-24-methylene-, 3-acetate (8CI);3-O-Acetyltumulosic acid;NSC 244427;Pachymic acid;

 

Pachymic acid Synthetic route

pachymic acid phthalimidomethyl ester

29070-92-6

pachimic acid

Conditions
ConditionsYield
With sodium hydroxide In ethanol; chloroform Ambient temperature;20 mg
29070-92-6

pachimic acid

79074-45-6

2-(bromomethyl)-3,5,6-trimethylpyrazine

1396810-45-9

(2R)-(3,5,6-trimethylpyrazine-2-yl)methyl-2-((14R,16R)-3-acetoxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methyl-5-methylene heptylate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 85℃; for 1.5h;45.2%
With potassium carbonate In N,N-dimethyl-formamide at 85℃; for 3h;25.2%

Pachymic acid Specification

The Pachymic acid, with the CAS registry number 29070-92-6, is also known as CCRIS 7792 and Lanost-8-en-21-oic acid, 3-(acetyloxy)-16-hydroxy-24-methylene-, (3beta,16alpha)-. It belongs to the product category of Natural metabolites. This chemical's molecular formula is C33H52O5 and formula weight is 528.76. What's more, both its IUPAC name and systematic name are the same which is called (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-Acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid. This chemical is white powder.

Physical properties about this chemical are: (1)ACD/LogP: 8.59; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.61; (4)ACD/LogD (pH 7.4): 5.81; (5)ACD/BCF (pH 5.5): 208165.61; (6)ACD/BCF (pH 7.4): 3270.92; (7)ACD/KOC (pH 5.5): 117415.01; (8)ACD/KOC (pH 7.4): 1844.95; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 150.61 cm3; (15)Molar Volume: 480 cm3; (16)Surface Tension: 44.1 dyne/cm; (17)Density: 1.1 g/cm3; (18)Flash Point: 184.7 °C; (19)Enthalpy of Vaporization: 104.23 kJ/mol; (20)Boiling Point: 612.2 °C at 760 mmHg; (21)Vapour Pressure: 1.51E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@H]4CC[C@@]3(C/2=C(/[C@]1([C@]([C@H]([C@H](O)C1)[C@H](C(=O)O)CCC(=C)/C(C)C)(C)CC\2)C)CC[C@H]3C4(C)C)C)C
(2)InChI: InChI=1/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32-,33+/m1/s1
(3)InChIKey: VDYCLYGKCGVBHN-DRCQUEPLBX

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 29070-92-6