Compound Selection

Formula: C25H38O5

MW: 418.57

CAS: 15991-93-2

Smiles: C1[C@@H]2([C]3([C@@H](C[C@H](OC(=O)C)CC3)CC[C@H]2([C@H]2([C]([C@H]1OC(=O)C)([C@H](CC2)C(=O)C)C)))C)

ACCEPTORS: 5

DONORS: 0

ROTATION BONDS: 2

N+O: 5

Chiral Centers: 9

LogP: 7.03

LogS: -6.1

LIPINSKI: 3

Synonyms: 5BETA-PREGNANE-3ALPHA,12ALPHA-DIOL-20-ONE DIACETATE;5BETA-PREGNAN-3ALPHA,12ALPHA-DIOL-20-ONE 3,12-DIACETATE;5-BETA-PREGNAN-3-ALPHA, 12-ALPHA-DIOL-20-ONE DIACETATE;3-ALPHA,12-ALPHA-DIACETOXYPREGNAN-20-ONE;3ALPHA,12ALPHA-DIHYDROXY-5BETA-PREGNAN-20-ONE 3, 12-DIACETATE;5B-pregnane-3A,12A-diol-20-one*diacetate;3a,12a-Diacetoxypregnan-20-one, 5B-Pregnane-3a,12a-diol-20-one diacetate;3a,12a-Dihydroxy-5B-pregnan-20-one 3,12-diacetate

CAS:15991-93-2

MF:C25H38O5

MW:418.57

EINECS:

Product Categories: 3-ALPHA,12-ALPHA-DIACETOXYPREGNAN-20-ONE WGK Germany 3 3-ALPHA,12-ALPHA-DIACETOXYPREGNAN-20-ONE

Usage And Synthesis: 3-ALPHA,12-ALPHA-DIACETOXYPREGNAN-20-ONE

Chemical Compounds - BioActive Compounds

Structure Search Shop Online Download Databases Request a CD
Structure Search eChemStore Download Request CD

Site Search

Compound Search

share

FacebookTwitterLinkedin

Contact Us

Phone: 302-292-8500
Fax: 302-292-8520

MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management