Gestadienol

CAT: 1596-AR-U01209-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-U01209-04Size:100 Units

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CAS Number

14340-01-3

Synonyms

(8S,13S,14S,17R) -17-acetyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12, 13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

Molecular Formula

C20H26O3

Molecular Weight

314.43

API Name

Ulipristal

Chemical Information

(8S,13S,14S,17R)-17-acetyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

CAS Number	14340-01-3
PubChem CID	15085866
IUPAC Name	(8S,13S,14S,17R)-17-acetyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Formula	C20H26O3
Molecular Weight	314.4
XLogP	1.3
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	656

SMILES

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CCC3=C4CCC(=O)C=C4CC[C@@H]23)C)O

InChI

InChI=1S/C20H26O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,17-18,23H,3-10H2,1-2H3/t17-,18+,19+,20+/m1/s1

InChIKey

CRODSNSLNRWYAX-FYQPLNBISA-N

Chemical Structure

2D Structure

CAS: 14340-01-3

CID: 15085866

Formula: C20H26O3

MW: 314.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	314.4
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	314.18819469
Monoisotopic Mass	314.18819469
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	656
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-G368235-250MG	Gestadienol