Research chemical
CAS Number: 2243600-32-8
![(1R,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-1-(2-Hydroxy-5-oxo-2,5-dihydrofuran-3-yl)-4b,7,7,11a,13a-pentamethyl-3,5,9-trioxohexadecahydrooxepino[4',3':3,4]benzo[1,2-f]oxireno[2,3-d]isochromen-11-yl acetate molecular structure, CAS 2243600-32-8](/structure-images/2243600-32-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
177927936
Exact Mass
546.210112
InChIKey
BITMUVWXPAIZAG-SYIQFVMMSA-N
IUPAC Name
[(1R,2R,4S,7R,8S,11R,12R,13S,18R)-7-(2-hydroxy-5-oxo-2H-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate
SMILES String
CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](C5=CC(=O)OC5O)OC(=O)[C@H]5O[C@]543)[C@@]12C
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.
(1R,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-1-(2-Hydroxy-5-oxo-2,5-dihydrofuran-3-yl)-4b,7,7,11a,13a-pentamethyl-3,5,9-trioxohexadecahydrooxepino[4',3':3,4]benzo[1,2-f]oxireno[2,3-d]isochromen-11-yl acetate is identified by CAS 2243600-32-8, with molecular formula C28H34O11, molecular weight 546.6, InChIKey BITMUVWXPAIZAG-SYIQFVMMSA-N.
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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
39
H-bond acceptors
11
H-bond donors
1
Rotatable bonds
2
Ring count
6
Aromatic rings
0
Topological polar surface area
155.03 Ų
Computed LogP
1.53
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
60 g/mol, PubChem CID 177927936.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
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