Research chemical
CAS Number: 677277-98-4
![[6,7,24,25-Tetrahydroxy-5-(hydroxymethyl)-10,24,31,33-tetramethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.119,22.01,8.02,26.03,5.07,11.025,30]tritriaconta-14,16-dien-18-yl] benzoate molecular structure, CAS 677277-98-4](/structure-images/677277-98-4.png?v=struct-v3)
Product details
PubChem CID
73091420
Exact Mass
814.356442
InChIKey
ZDIWBBJUVBDSOV-UHFFFAOYSA-N
SMILES String
CC1CC2C3(O)C1OC(=O)C=CC=CC(OC(=O)c1ccccc1)C1CCC(CC(C)(O)C4(O)C5OC6(c7ccccc7)OC4C(C4OC4(CO)C3O)C2(O6)C5C)C1C
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.
[6,7,24,25-Tetrahydroxy-5-(hydroxymethyl)-10,24,31,33-tetramethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.119,22.01,8.02,26.03,5.07,11.025,30]tritriaconta-14,16-dien-18-yl] benzoate is identified by CAS 677277-98-4, with molecular formula C46H54O13, molecular weight 814.9, InChIKey ZDIWBBJUVBDSOV-UHFFFAOYSA-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.
For laboratory research and professional procurement workflows.
Heavy atom count
59
H-bond acceptors
13
H-bond donors
5
Rotatable bonds
4
Ring count
12
Aromatic rings
2
Topological polar surface area
193.97 Ų
Computed LogP
3.31
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
[6,7,24,25-Tetrahydroxy-5-(hydroxymethyl)-10,24,31,33-tetramethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26. 3. 1. 119,22. 01,8. 02,26. 03,5. 07,11.
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.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.