15991-93-2
Product Name:
3-ALPHA,12-ALPHA-DIACETOXYPREGNAN-20-ONE
Formula:
C25H38O5
Synonyms:
3α,12α-Diacetoxypregnan-20-one;5β-Pregnane-3α,12α-diol-20-one diacetate
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 418.6 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 418.27192431 g/mol |
| Monoisotopic Mass | 418.27192431 g/mol |
| Topological Polar Surface Area | 69.7 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 731 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3alpha,12alpha-dihydroxy-5beta-pregnan-20-one diacetate is a steroid ester that is 5beta-pregnane substituted by an oxo group at position 20 and acetoxy groups at positions 3 and 12. It is a steroid ester, an acetate ester and a 20-oxo steroid. It derives from a hydride of a 5beta-pregnane.