sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Dammar-13(17)-en-3-one, 16,23-epoxy-11,24,25-trihydroxy-, (8α,9β,11β,14β,16β,23S,24R)-

Dammar-13(17)-en-3-one, 16,23-epoxy-11,24,25-trihydroxy-, (8α,9β,11β,14β,16β,23S,24R)-

CAS No.:
155521-45-2
Catalog Number:
AG001NZB
Molecular Formula:
C30H48O5
Molecular Weight:
488.6991
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$365
- +
10mg
99%
1 week
United States
$640
- +
Product Description
Catalog Number:
AG001NZB
Chemical Name:
Dammar-13(17)-en-3-one, 16,23-epoxy-11,24,25-trihydroxy-, (8α,9β,11β,14β,16β,23S,24R)-
CAS Number:
155521-45-2
Molecular Formula:
C30H48O5
Molecular Weight:
488.6991
MDL Number:
MFCD28411505
IUPAC Name:
(1S,2R,4S,6S,8R,12S,13S,14S,19R)-6-[(1R)-1,2-dihydroxy-2-methylpropyl]-12-hydroxy-1,2,8,14,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-9-en-17-one
InChI:
InChI=1S/C30H48O5/c1-16-13-19(25(33)27(4,5)34)35-20-15-30(8)17(23(16)20)14-18(31)24-28(6)11-10-22(32)26(2,3)21(28)9-12-29(24,30)7/h16,18-21,24-25,31,33-34H,9-15H2,1-8H3/t16-,18+,19+,20+,21+,24+,25-,28+,29+,30+/m1/s1
InChI Key:
YNKJSQIXVXWFBK-SLGDLKFASA-N
SMILES:
O[C@H]1CC2=C3[C@H](C)C[C@H](O[C@H]3C[C@@]2([C@@]2([C@@H]1[C@@]1(C)CCC(=O)C([C@@H]1CC2)(C)C)C)C)[C@H](C(O)(C)C)O
Properties
Complexity:
950  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
488.35g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
488.709g/mol
Monoisotopic Mass:
488.35g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
[Chemical constituents of Alisma orientalis and their immunosuppressive function]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20090401
A new triterpene and anti-hepatitis B virus active compounds from Alisma orientalis. Planta medica 20060801
[Studies on triterpenes chemical constituents in rhizome of Alisma gramineum]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20050801
Effects of sesquiterpenes and triterpenes from the rhizome of Alisma orientale on nitric oxide production in lipopolysaccharide-activated macrophages: absolute stereostructures of alismaketones-B 23-acetate and -C 23-acetate. Bioorganic & medicinal chemistry letters 19991101
Properties