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26629-41-4

26629-41-4 | Card-20(22)-enolide, 3,14,17-trihydroxy-, (3β,5β)- (9CI)

CAS No: 26629-41-4 Catalog No: AG002TVJ MDL No:

Product Description

Catalog Number:
AG002TVJ
Chemical Name:
Card-20(22)-enolide, 3,14,17-trihydroxy-, (3β,5β)- (9CI)
CAS Number:
26629-41-4
IUPAC Name:
3-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
InChI:
InChI=1S/C23H34O5/c1-20-7-5-16(24)11-14(20)3-4-18-17(20)6-8-21(2)22(26,9-10-23(18,21)27)15-12-19(25)28-13-15/h12,14,16-18,24,26-27H,3-11,13H2,1-2H3/t14-,16+,17+,18-,20+,21-,22+,23+/m1/s1
InChI Key:
PBAPWFMQSGITBY-IKVCRZIASA-N

Properties

Complexity:
733  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
390.241g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
390.52g/mol
Monoisotopic Mass:
390.241g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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