Research chemical
CAS Number: 1029130-85-5
![(3beta)-cholest-5-en-3-yl [(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetate molecular structure, CAS 1029130-85-5](/structure-images/1029130-85-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16396744
Exact Mass
638.397125
InChIKey
OIFDUXHQKJARTG-HSCMKLLHSA-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-(6-oxobenzo[c]chromen-3-yl)oxyacetate
SMILES String
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc56)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 [(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetate is identified by CAS 1029130-85-5, with molecular formula C42H54O5, molecular weight 638.9, InChIKey OIFDUXHQKJARTG-HSCMKLLHSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
47
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
9
Ring count
7
Aromatic rings
3
Topological polar surface area
65.74 Ų
Computed LogP
10.28
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 [(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetate (CAS 1029130-85-5) is maintained as a commercial cas reference with formula C42H54O5, molecular weight 638. 90 g/mol, PubChem CID 16396744.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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.