Research chemical
CAS Number: 2102449-40-9
![4-O-[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 1-O-[(9E,12E)-octadeca-9,12-dienyl] butanedioate molecular structure, CAS 2102449-40-9](/structure-images/2102449-40-9.png?v=struct-v3)
Product details
PubChem CID
172913490
Exact Mass
740.466347
InChIKey
BSDBWIPACPNDCK-IFQFFTQCSA-N
SMILES String
CCCCC/C=C/C/C=C/CCCCCCCCOC(=O)CCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
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-O-[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 1-O-[(9E,12E)-octadeca-9,12-dienyl] butanedioate is identified by CAS 2102449-40-9, with molecular formula C44H65FO8, molecular weight 741, InChIKey BSDBWIPACPNDCK-IFQFFTQCSA-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.
For laboratory research and professional procurement workflows.
Heavy atom count
53
H-bond acceptors
8
H-bond donors
2
Rotatable bonds
21
Ring count
4
Aromatic rings
0
Topological polar surface area
127.2 Ų
Computed LogP
8.58
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
00 g/mol, PubChem CID 172913490.
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.
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