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150490-87-2

150490-87-2 | 2(1H)-Chrysenone, 3,4,4a,4b,5,6,10b,11,12,12a-decahydro-6(or 8)-hydroxymethoxy-12a-methyl-, (4aS,4bS,10bS,12aS)- (9CI)

CAS No: 150490-87-2 Catalog No: AG001MNF MDL No:

Product Description

Catalog Number:
AG001MNF
Chemical Name:
2(1H)-Chrysenone, 3,4,4a,4b,5,6,10b,11,12,12a-decahydro-6(or 8)-hydroxymethoxy-12a-methyl-, (4aS,4bS,10bS,12aS)- (9CI)
CAS Number:
150490-87-2
IUPAC Name:
(4aS,4bR,10bS,12aS)-6,8-dihydroxy-11,12a-dimethyl-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-one
InChI:
InChI=1S/C20H26O3/c1-11-10-20(2)16(4-3-5-18(20)23)15-9-17(22)14-8-12(21)6-7-13(14)19(11)15/h6-8,11,15-17,19,21-22H,3-5,9-10H2,1-2H3/t11?,15-,16+,17?,19-,20+/m1/s1
InChI Key:
XOCWSPCVMKOABQ-JFJAULRUSA-N

Properties

Complexity:
489  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
314.188g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
314.425g/mol
Monoisotopic Mass:
314.188g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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