3beta-(2-Tetrahydropyranoxy)androst-5-ene-7,17-dione

HCID 69736313
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Basic information

Standard SMILES
C[C@]12CC[C@H](OC3CCCCO3)CC1=CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIKey
MTHVWRBMHSPGLY-XTSQSDLFSA-N
Molecular formula
C24H34O4
Average molar mass
386.5 g/mol
Monoisotopic mass
386.24570956

Names & identifiers

Preferred name
3beta-(2-Tetrahydropyranoxy)androst-5-ene-7,17-dione
IUPAC
(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-7,17-dione

Names & synonyms

SCHEMBL6304013MTHVWRBMHSPGLY-XTSQSDLFSA-N3beta-(2-tetrahydropyranoxy)androst-5-ene-7,17-dione

Database identifiers

PubChem CID
69736313
Nikkaji
J1.530.688B

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
28

Related reactions

1 records
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Linked notes

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