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28957-08-6

28957-08-6 | Kaur-16-en-15-one, 1-(acetyloxy)-7,20-epoxy-6,7,14-trihydroxy-, (1α,6β,7α,14R)-

CAS No: 28957-08-6 Catalog No: AG002UZG MDL No:

Product Description

Catalog Number:
AG002UZG
Chemical Name:
Kaur-16-en-15-one, 1-(acetyloxy)-7,20-epoxy-6,7,14-trihydroxy-, (1α,6β,7α,14R)-
CAS Number:
28957-08-6
IUPAC Name:
(9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl) acetate
InChI:
InChI=1S/C22H30O7/c1-10-12-5-6-13-20-9-28-22(27,21(13,16(10)24)17(12)25)18(26)15(20)19(3,4)8-7-14(20)29-11(2)23/h12-15,17-18,25-27H,1,5-9H2,2-4H3
InChI Key:
DJQLJZNVICMJRV-UHFFFAOYSA-N
NSC Number:
250683

Properties

Complexity:
820  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.199g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
406.475g/mol
Monoisotopic Mass:
406.199g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
9  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Literature

Title Journal
Four new ent-kauranoids from Isodon rubescens var. lushanensis and data reassignment of dayecrystal B. Chemical & pharmaceutical bulletin 20100101

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