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Home Other Building Blocks Dammar-13(17)-en-3-one, 11,23,24,25-tetrahydroxy-, (8α,9β,11β,14β,23S,24R)-

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

CAS No.:
19885-10-0
Catalog Number:
AG002BSD
Molecular Formula:
C30H50O5
Molecular Weight:
490.7150
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$332
- +
10mg
98%
1 week
United States
$554
- +
Product Description
Catalog Number:
AG002BSD
Chemical Name:
Dammar-13(17)-en-3-one, 11,23,24,25-tetrahydroxy-, (8α,9β,11β,14β,23S,24R)-
CAS Number:
19885-10-0
Molecular Formula:
C30H50O5
Molecular Weight:
490.7150
MDL Number:
MFCD09953906
IUPAC Name:
(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
InChI Key:
HNOSJVWYGXOFRP-UNPOXIGHSA-N
SMILES:
O[C@H]([C@H](C(O)(C)C)O)C[C@H](C1=C2C[C@H](O)[C@@H]3[C@]([C@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C
Properties
Complexity:
904  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
490.366g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
490.725g/mol
Monoisotopic Mass:
490.366g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Renaissance remedies: Antiplasmodial protostane triterpenoids from Alisma plantago-aquatica L. (Alismataceae). Journal of ethnopharmacology 20110426
A sensitive liquid chromatography-mass spectrometry method for simultaneous determination of alisol A and alisol A 24-acetate from Alisma orientale (Sam.) Juz. in rat plasma. Analytical and bioanalytical chemistry 20110101
Effects of protostane-type triterpenoids on the 5-HT3A receptor-mediated ion current in Xenopus oocytes. Brain research 20100517
Anti-HBV agents. Part 3: preliminary structure-activity relationships of tetra-acylalisol A derivatives as potent hepatitis B virus inhibitors. Bioorganic & medicinal chemistry letters 20091201
Anti-HBV agents. Part 2: synthesis and in vitro anti-hepatitis B virus activities of alisol A derivatives. Bioorganic & medicinal chemistry letters 20090415
[Chemical constituents of Alisma orientalis and their immunosuppressive function]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20090401
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