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4-Androstene-17beta,19-diol dipropionate

HCID 70628879
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CC)CC[C@@H]12
InChIKey
VRIKGASXCGDZFT-FDGCDDQTSA-N
Molecular formula
C25H38O4
Average molar mass
402.6 g/mol

Names & identifiers

Preferred name
4-Androstene-17beta,19-diol dipropionate
IUPAC
[(8R,9S,10S,13S,14S,17S)-13-methyl-17-propanoyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl propanoate

Names & synonyms

SCHEMBL11660470VRIKGASXCGDZFT-FDGCDDQTSA-N4-androstene-17beta,19-diol dipropionate

Database identifiers

PubChem CID
70628879

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
29
Formal charge
0
Complexity
682

Related reactions

4 records
New reaction record
HRID 1834916 reaction equation
HRID 1834916As productuspto-grants-1978_01
HRID 1834917 reaction equation
HRID 1834917As reactantuspto-grants-1978_01
HRID 2397972 reaction equation
HRID 2397972As productuspto-grants-1977_05
HRID 2397974 reaction equation
HRID 2397974As reactantuspto-grants-1977_05

Compound notes

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