5-Beta-pregnan-3-alpha,6-alpha-diol-20-one

CAS

570-78-5

Catalog Number

ACM570785

Category

Steroidal Compounds

Molecular Weight

334.49

Molecular Formula

C₂₁H₃₄O₃

MSDS COA Spec Sheet

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Specification

Synonyms

5-BETA-PREGNAN-3-ALPHA, 6-ALPHA-DIOL-20-ONE;3-alpha,6-alpha-dihydroxy-5-beta-pregnan-20-on;3-alpha,6-alpha-dihydroxy-5-beta-pregnan-20-one;6-alpha-hydroxypregnanolone;pregnan-3,6-diol-20-one;3ALPHA,6ALPHA-Dihydroxy-5B-pregnan-20-one;3α,6α-Dihydroxy-5β-pr

IUPAC Name

1-[(3R,5R,6S,8R,9S,10R,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Canonical SMILES

CC(=O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C

InChI Key

HHUZGDMRRLQZIQ-PXWUZWBYSA-N

Boiling Point

469.7ºC at 760mmHg

Flash Point

252ºC

Density

1.117g/cm³

EC Number

209-333-8

Exact Mass

334.25100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one?

The molecular formula is C21H34O3.

What is the molecular weight of 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one?

The molecular weight is 334.5 g/mol.

What is the CAS number of 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one?

The CAS number is 570-78-5.

What is the IUPAC name of 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one?

The IUPAC name is 1-[(3R,5R,6S,8R,9S,10R,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.

How many hydrogen bond donor atoms does 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one have?

It has 2 hydrogen bond donor atoms.

How many hydrogen bond acceptor atoms does 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one have?

It has 3 hydrogen bond acceptor atoms.

How many rotatable bonds does 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one have?

It has 1 rotatable bond.

What is the topological polar surface area of 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one?

The topological polar surface area is 57.5Å².

How many heavy atoms are present in 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one?

There are 24 heavy atoms.

How many defined atom stereocenters are there in 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one?

There are 9 defined atom stereocenters.