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255876-40-5 | bicyclo[3.2.1]oct-3-en-6-yl 4-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoat e
CAS No: 255876-40-5 Catalog No: AG01CAL8 MDL No:MFCD00829203
Product Description
Catalog Number:
AG01CAL8
Chemical Name:
bicyclo[3.2.1]oct-3-en-6-yl 4-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoat e
CAS Number:
255876-40-5
Molecular Formula:
C32H48O3
Molecular Weight:
480.7217
MDL Number:
MFCD00829203
IUPAC Name:
6-bicyclo[3.2.1]oct-3-enyl 4-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
InChI:
InChI=1S/C32H48O3/c1-20(7-12-30(34)35-29-18-21-5-4-6-22(29)17-21)26-10-11-27-25-9-8-23-19-24(33)13-15-31(23,2)28(25)14-16-32(26,27)3/h4,6,8,20-22,24-29,33H,5,7,9-19H2,1-3H3
InChI Key:
ARZPPTOMZUQGJG-UHFFFAOYSA-N
SMILES:
OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCC(=O)OC2CC3CC2C=CC3)C)C)C1)C
Properties
Complexity:
889
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.36g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
480.733g/mol
Monoisotopic Mass:
480.36g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
11
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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