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Computed Structure Descriptors
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What are the key identifiers for [(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] 3-[(R)-methylsulfinyl]prop-2-enoate (CAS 226711-23-5)?
[(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] 3-[(R)-methylsulfinyl]prop-2-enoate is identified by CAS 226711-23-5, with molecular formula C21H28O7S, molecular weight 424.5, InChIKey NOBDIGGORMPBLK-NNDUOQGBSA-N.
Can I request a COA for CAS 226711-23-5?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for [(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] 3-[(R)-methylsulfinyl]prop-2-enoate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 226711-23-5 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Show calculated structure fields
Heavy atom count
29
H-bond acceptors
7
H-bond donors
0
Rotatable bonds
4
Ring count
3
Aromatic rings
0
Topological polar surface area
95.97 Ų
Computed LogP
2.28
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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.
Catalog Facts
Structural features
50 g/mol, PubChem CID 177784371.
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 drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Applications & Classification
Commercial Research ChemicalsResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
![[(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] 3-[(R)-methylsulfinyl]prop-2-enoate molecular structure, CAS 226711-23-5](/structure-images/226711-23-5.png?v=struct-v2)