CAS
90154-93-1 Purity
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90154-93-1 Purity
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20-Alpha-dihydropregenolone
CAS
901-56-4
Catalog Number
ACM901564
Category
Other Products
Molecular Weight
318.49
Molecular Formula
C21H34O2
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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
SMILES
CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O
InChI Key
QAAQQTDJEXMIMF-YZXCLFAISA-N
Exact Mass
318.25600
H-Bond Acceptor
2
H-Bond Donor
2
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.
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