Research chemical
CAS Number: 1817647-90-7
![(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-10,13-dimethyl-17-((2R)-5-oxo-5-(((3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)amino)pentan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acrylate molecular structure, CAS 1817647-90-7](/structure-images/1817647-90-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
86280152
Exact Mass
623.366947
InChIKey
IINOCRWBKCMWPD-SGTGDGCASA-N
IUPAC Name
[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] prop-2-enoate
SMILES String
C=CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)[C@@H]([C@H](C)CCC(=O)N[C@H]3C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC[C@@H]12
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-10,13-dimethyl-17-((2R)-5-oxo-5-(((3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)amino)pentan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acrylate is identified by CAS 1817647-90-7, with molecular formula C33H53NO10, molecular weight 623.8, InChIKey IINOCRWBKCMWPD-SGTGDGCASA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
44
H-bond acceptors
11
H-bond donors
7
Rotatable bonds
8
Ring count
5
Aromatic rings
0
Topological polar surface area
186.01 Ų
Computed LogP
1.02
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
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
80 g/mol, PubChem CID 86280152.
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; structure-derived tags include nitrogen-containing heterocycle.
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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.