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Computed Structure Descriptors
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What are the key identifiers for [2,4,9,13-tetraacetyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropanoyloxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate (CAS 210108-88-6)?
[2,4,9,13-tetraacetyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropanoyloxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate is identified by CAS 210108-88-6, with molecular formula C39H52O14, molecular weight 744.8, InChIKey WITHKWWZWFNDND-UHFFFAOYSA-N.
Can I request a COA for CAS 210108-88-6?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for [2,4,9,13-tetraacetyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropanoyloxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 210108-88-6 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Show calculated structure fields
Heavy atom count
53
H-bond acceptors
14
H-bond donors
2
Rotatable bonds
8
Ring count
3
Aromatic rings
1
Topological polar surface area
198.26 Ų
Computed LogP
3.8
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.
Catalog Facts
Structural features
80 g/mol, PubChem CID 85098609.
Sourcing context
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Research use context
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Documentation needs
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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.
![[2,4,9,13-tetraacetyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropanoyloxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate molecular structure, CAS 210108-88-6](/structure-images/210108-88-6.png?v=struct-v3)