Research chemical
CAS Number: 1029693-60-4
![(3beta)-cholest-5-en-3-yl [(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate molecular structure, CAS 1029693-60-4](/structure-images/1029693-60-4.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16397965
Exact Mass
680.40769
InChIKey
WXIZXILJEQMMHV-PTRTWQFRSA-N
IUPAC Name
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
SMILES String
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COc5cc(O)c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@H]3CC[C@]12C
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(3beta)-cholest-5-en-3-yl [(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate is identified by CAS 1029693-60-4, with molecular formula C44H56O6, molecular weight 680.9, InChIKey WXIZXILJEQMMHV-PTRTWQFRSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
50
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
10
Ring count
7
Aromatic rings
3
Topological polar surface area
85.97 Ų
Computed LogP
10.5
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
(3beta)-cholest-5-en-3-yl [(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate (CAS 1029693-60-4) is maintained as a commercial cas reference with formula C44H56O6, molecular weight 680. 90 g/mol, PubChem CID 16397965.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.