20-Alpha-dihydropregenolone

CAS

901-56-4

Catalog Number

ACM901564

Category

Other Products

Molecular Weight

318.49

Molecular Formula

C₂₁H₃₄O₂

MSDS COA Spec Sheet

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Specification

Synonyms

5-PREGNEN-3-BETA, 20-ALPHA-DIOL;20-ALPHA-DIHYDROPREGENOLONE;5-pregnene-3B,20A-diol;5-pregnene-3,20-diol;(3S,8S,9S,10R,13R,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;3B,20ALPHA-Di

IUPAC Name

(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Canonical SMILES

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

InChI Key

QAAQQTDJEXMIMF-YZXCLFAISA-N

Exact Mass

318.25600

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 20-Alpha-dihydropregenolone?

The molecular formula is C21H34O2.

What is the molecular weight of 20-Alpha-dihydropregenolone?

The molecular weight is 318.5 g/mol.

What is the IUPAC name of 20-Alpha-dihydropregenolone?

The IUPAC name is (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.

What is the InChI of 20-Alpha-dihydropregenolone?

The InChI is InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15-,16-,17+,18-,19-,20-,21+/m0/s1.

What is the InChIKey of 20-Alpha-dihydropregenolone?

The InChIKey is QAAQQTDJEXMIMF-YZXCLFAISA-N.

What is the canonical SMILES of 20-Alpha-dihydropregenolone?

The canonical SMILES is CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O.

What is the XLogP3 value of 20-Alpha-dihydropregenolone?

The XLogP3 value is 4.5.

How many hydrogen bond donor counts does 20-Alpha-dihydropregenolone have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of 20-Alpha-dihydropregenolone?

The topological polar surface area is 40.5?2.