Research chemical
CAS Number: 1029695-89-3
![[(1S,4S,5'R,6R,7S,8R,9S,13R,15R,16R,18R,19R)-16-benzoyloxy-18,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-yl] benzoate molecular structure, CAS 1029695-89-3](/structure-images/1029695-89-3.png?v=struct-v3)
Product details
PubChem CID
16401648
Exact Mass
672.366219
InChIKey
ACEISPCSJSPBDG-NREBQHRESA-N
SMILES String
C[C@@H]1CC[C@@]2(OC1)O[C@H]1CC3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](OC(=O)c6ccccc6)[C@H](OC(=O)c6ccccc6)C[C@]5(C)C4CC[C@]3(C)[C@H]1[C@@H]2C
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.
[(1S,4S,5'R,6R,7S,8R,9S,13R,15R,16R,18R,19R)-16-benzoyloxy-18,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-yl] benzoate is identified by CAS 1029695-89-3, with molecular formula C41H52O8, molecular weight 672.8, InChIKey ACEISPCSJSPBDG-NREBQHRESA-N.
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Heavy atom count
49
H-bond acceptors
8
H-bond donors
2
Rotatable bonds
4
Ring count
8
Aromatic rings
2
Topological polar surface area
111.52 Ų
Computed LogP
6.58
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
[(1S,4S,5'R,6R,7S,8R,9S,13R,15R,16R,18R,19R)-16-benzoyloxy-18,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10. 8. 0. 02,9. 04,8.
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