200,000+ products from a single source!

sales@angenechem.com

Home > Other Building Blocks > 113579-08-1

113579-08-1

113579-08-1 | 24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oic acid, 3,21,22-trihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9β,13α,20α,21β,22β)-

CAS No: 113579-08-1 Catalog No: AG000929 MDL No:

Product Description

Catalog Number:
AG000929
Chemical Name:
24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oic acid, 3,21,22-trihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9β,13α,20α,21β,22β)-
CAS Number:
113579-08-1
Molecular Formula:
C30H38O6
Molecular Weight:
494.6191
IUPAC Name:
methyl 3,4,10-trihydroxy-2,4a,6,6a,9,14a-hexamethyl-11-oxo-3,4,5,13,14,14b-hexahydro-1H-picene-2-carboxylate
InChI:
InChI=1S/C30H38O6/c1-15-13-29(5)21(14-30(6,26(35)36-7)25(34)24(29)33)28(4)11-10-27(3)18(22(15)28)9-8-17-16(2)23(32)20(31)12-19(17)27/h8-9,12,21,24-25,32-34H,10-11,13-14H2,1-7H3
InChI Key:
APGPWXZLGUDEGW-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C)CC2C3(C)CCC4(C(=CC=C5C4=CC(=O)C(=C5C)O)C3=C(CC2(C(C1O)O)C)C)C

Properties

Complexity:
1250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.267g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
494.628g/mol
Monoisotopic Mass:
494.267g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
7  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Related Products

© 2019 Angene International Limited. All rights Reserved.