200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 84754-03-0
84754-03-0 | [(1R,3Z,7R,8R,9S,10S)-7,8-dihydroxy-3,7-dimethyl-11-methylidene-6,12-dioxo-13-oxabicyclo[8.3.0]tridec-3-en-9-yl] 3-methylbutanoate
CAS No: 84754-03-0 Catalog No: AG004YAI MDL No:
Product Description
Catalog Number:
AG004YAI
Chemical Name:
[(1R,3Z,7R,8R,9S,10S)-7,8-dihydroxy-3,7-dimethyl-11-methylidene-6,12-dioxo-13-oxabicyclo[8.3.0]tridec-3-en-9-yl] 3-methylbutanoate
CAS Number:
84754-03-0
Molecular Formula:
C20H28O7
Molecular Weight:
380.4321
IUPAC Name:
[(3aS,4S,5R,6R,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate
InChI:
InChI=1S/C20H28O7/c1-10(2)8-15(22)27-17-16-12(4)19(24)26-13(16)9-11(3)6-7-14(21)20(5,25)18(17)23/h6,10,13,16-18,23,25H,4,7-9H2,1-3,5H3/t13-,16+,17+,18-,20+/m1/s1
InChI Key:
UDVWRXYAYUIACW-NLXNBFQESA-N
SMILES:
CC(CC(=O)O[C@H]1[C@@H]2[C@@H](CC(=CCC(=O)[C@]([C@@H]1O)(C)O)C)OC(=O)C2=C)C
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
380.184g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
380.437g/mol
Monoisotopic Mass:
380.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
Related Products
© 2019 Angene International Limited. All rights Reserved.