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Chemical structure of (3β,4β,17β)-17-(2-Pyridinylmethyl)androst-5-ene-3,4,17-triol

GC91517

(3β,4β,17β)-17-(2-Pyridinylmethyl)androst-5-ene-3,4,17-triol

Also known as (3S,4R,10R,13S,17R)-10,13-dimethyl-17-(pyridin-2-ylmethyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,4,17-triol

(3β,4β,17β)-17-(2-Pyridinylmethyl)androst-5-ene-3,4,17-triol is a sterol lipid and derivative of 5-androstenetriol

ChemicalCAS1393651-00-7MW397.6FormulaC25H35NO3
CAS number
1393651-00-7
Molecular weight
397.6
Formula
C25H35NO3
Solubility
DMSO： Soluble： ≥10 mg/ml,Ethanol： Soluble： ≥10 mg/ml,PBS (pH 7·2)： Slightly soluble： 0·1–1 mg/ml
InChIKey
VOJCRCXJCNNVLD-RZVICWFMSA-N
Catalogue number
GC91517
Brand
GLPBIO
Computed properties PubChem CID 71476068 · XLogP 3 · TPSA 73.6 Ų · H-bond donors 3
XLogP
3
TPSA
73.6 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
29

SMILES C[C@]12CC[C@@H]([C@@H](C1=CCC3C2CC[C@]4(C3CC[C@]4(CC5=CC=CC=N5)O)C)O)O

Computed descriptors from PubChem (CID 71476068), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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