sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks SHIONONE

SHIONONE

CAS No.:
10376-48-4
Catalog Number:
AG008RCC
Molecular Formula:
C30H50O
Molecular Weight:
426.7174
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG008RCC
Chemical Name:
SHIONONE
CAS Number:
10376-48-4
Molecular Formula:
C30H50O
Molecular Weight:
426.7174
MDL Number:
MFCD06799428
IUPAC Name:
(1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-enyl)-1,3,4,4a,5,6,7,9,10,10b,11,12-dodecahydrochrysen-2-one
InChI:
InChI=1S/C30H50O/c1-21(2)10-9-14-26(4)16-19-30(8)25-13-15-28(6)22(3)23(31)11-12-24(28)29(25,7)18-17-27(30,5)20-26/h10,22,24-25H,9,11-20H2,1-8H3/t22-,24+,25-,26+,27-,28+,29-,30+/m0/s1
InChI Key:
HXPXUNQUXCHJLL-LZQQOHPBSA-N
SMILES:
CC(=CCC[C@]1(C)CC[C@]2([C@@](C1)(C)CC[C@@]1([C@@H]2CC[C@]2([C@H]1CCC(=O)[C@@H]2C)C)C)C)C
UNII:
BT0AMD31UB
Properties
Complexity:
760  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
426.386g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.729g/mol
Monoisotopic Mass:
426.386g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10  
Literature
Title Journal
Astershionones A-F, six new anti-HBV shionane-type triterpenes from Aster tataricus. Fitoterapia 20140301
Molecular characterization of an oxidosqualene cyclase that yields shionone, a unique tetracyclic triterpene ketone of Aster tataricus. FEBS letters 20110406
[Determination of shionone in Radix Asteris by HPLC]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20030801
Properties