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892869-60-2

892869-60-2 | Oleana-2,12-dieno[2,3-d]isoxazol-28-oic acid phenylmethyl ester

CAS No: 892869-60-2 Catalog No: AG00GUK1 MDL No:

Product Description

Catalog Number:
AG00GUK1
Chemical Name:
Oleana-2,12-dieno[2,3-d]isoxazol-28-oic acid phenylmethyl ester
CAS Number:
892869-60-2
IUPAC Name:
benzyl (1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylate
InChI:
InChI=1S/C38H51NO3/c1-33(2)17-19-38(32(40)41-24-25-11-9-8-10-12-25)20-18-36(6)27(28(38)22-33)13-14-30-35(5)21-26-23-39-42-31(26)34(3,4)29(35)15-16-37(30,36)7/h8-13,23,28-30H,14-22,24H2,1-7H3/t28-,29-,30+,35-,36+,37+,38-/m0/s1
InChI Key:
NUSXUYYNYVGSFF-RXLVGJJOSA-N

Properties

Complexity:
1120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
569.387g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
569.83g/mol
Monoisotopic Mass:
569.387g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6  

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