Name: Name:(2S,4aR,6aS,9aS,9cR,12aR)-4a,6a,11,11-tetramethyl-7-methylenehexadecahydro-1H-cyclopenta[1,2]phenanthro[9,10-d][1,3]dioxol-2-yl acetate
Brand: Angene
SKU: AG01DG8E
Rating: 90 (10 reviews)

(2S,4aR,6aS,9aS,9cR,12aR)-4a,6a,11,11-tetramethyl-7-methylenehexadecahydro-1H-cyclopenta[1,2]phenanthro[9,10-d][1,3]dioxol-2-yl acetate

CAS No.:

782487-21-2

Catalog Number:

AG01DG8E

Molecular Formula:

C25H38O4

Molecular Weight:

402.5668

Catalog Number:

AG01DG8E

Chemical Name:

(2S,4aR,6aS,9aS,9cR,12aR)-4a,6a,11,11-tetramethyl-7-methylenehexadecahydro-1H-cyclopenta[1,2]phenanthro[9,10-d][1,3]dioxol-2-yl acetate

CAS Number:

782487-21-2

Molecular Formula:

C25H38O4

Molecular Weight:

402.5668

IUPAC Name:

[(2R,6S,12R,16S,20R)-4,4,12,16-tetramethyl-17-methylidene-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl] acetate

InChI:

InChI=1S/C25H38O4/c1-14-7-8-17-20-18(10-12-24(14,17)5)25(6)11-9-16(27-15(2)26)13-19(25)21-22(20)29-23(3,4)28-21/h16-22H,1,7-13H2,2-6H3/t16?,17-,18?,19?,20?,21+,22-,24-,25-/m1/s1

InChI Key:

GANLSRPRMOAPCO-WUZXYJIDSA-N

SMILES:

CC(=O)O[C@H]1CC[C@]2(C(C1)[C@H]1OC(O[C@@H]1C1C2CC[C@]2([C@H]1CCC2=C)C)(C)C)C

Complexity:

728

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

402.277g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

402.575g/mol

Monoisotopic Mass:

402.277g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.3