hydrocortisone acetate

hydrocortisone acetate

CAS: 50-03-3

Formula: C23H32O6

SMILES: [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

IUPAC: 2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate

InChI: InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17+,18+,20-,21+,22-,23-/m1/s1

Composition: C (68.29%), H (7.97%), O (23.73%)

Molar Mass: 404.503

Atom Count: 61

Heavy Atom Count: 29

Properties

Properties

Common Names	cortisol acetate; hydrocortisone acetate
Aromatic Ring Count	0
Asymmetric Atom Count	7
Exact Mass	404.21988875
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ALEXXDVDDISNDU-JZYPGELDSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.55
Topological Polar Surface Area	100.9
Polarizability	42.13
Ring Count	4
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.17%	<7 Days	50-03-3		$56.10$56.10