Research chemical
CAS Number: 218916-51-9
![[(1R,3Z,5R,7S,9R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate molecular structure, CAS 218916-51-9](/structure-images/218916-51-9.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
168013292
Exact Mass
642.282883
InChIKey
AFRGWGGHJYMSDU-IIAFVXCZSA-N
SMILES String
C=C1C(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C\[C@@H]2[C@H](C[C@H]1OC(=O)c1ccccc1)C2(C)C
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.
[(1R,3Z,5R,7S,9R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate is identified by CAS 218916-51-9, with molecular formula C38H42O9, molecular weight 642.7, InChIKey AFRGWGGHJYMSDU-IIAFVXCZSA-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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
47
H-bond acceptors
9
H-bond donors
0
Rotatable bonds
6
Ring count
5
Aromatic rings
2
Topological polar surface area
122.27 Ų
Computed LogP
6.07
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
[(1R,3Z,5R,7S,9R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10. 3. 0.
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.
Safety and handling reference content is available through documentation requests.
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