Research chemical
CAS Number: 123805-39-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
130056
Exact Mass
622.480854
InChIKey
MBABCNBNDNGODA-UHFFFAOYSA-N
IUPAC Name
4-[2,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
SMILES String
CCCCCCCCCCC(O)C1CCC(C2CCC(C(O)CCCCCCCCCCC(O)CC3=CC(C)OC3=O)O2)O1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
4-Hydroxy-25-desoxyneorollinicin is identified by CAS 123805-39-0, with molecular formula C37H66O7, molecular weight 622.9, InChIKey MBABCNBNDNGODA-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
44
H-bond acceptors
7
H-bond donors
3
Rotatable bonds
25
Ring count
3
Aromatic rings
0
Topological polar surface area
105.45 Ų
Computed LogP
7.86
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
4-Hydroxy-25-desoxyneorollinicin (CAS 123805-39-0) is maintained as a commercial cas reference with formula C37H66O7, molecular weight 622. 90 g/mol, PubChem CID 130056.
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.