Research chemical
Anemarrhenasaponin Ia
CAS Number: 221317-02-8
Product details
Identity & specification
- Molecular formula
- C40H68O14
- Molecular weight
- 773 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
9918635
Exact Mass
772.460907
InChIKey
IHMGCJXHLUVQOY-UNAFYQAQSA-N
IUPAC Name
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(1R,2S,3R,4R,7S,8R,9S,12S,13S,16S,18R)-3-hydroxy-6-methoxy-7,9,13-trimethyl-6-(3-methylbutyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES String
COC1(CCC(C)C)O[C@H]2[C@H](O)[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
54
H-bond acceptors
14
H-bond donors
8
Rotatable bonds
10
Ring count
7
Aromatic rings
0
Topological polar surface area
217.22 Ų
Computed LogP
1.05
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
Anemarrhenasaponin Ia (CAS 221317-02-8) is maintained as a commercial cas reference with formula C40H68O14, molecular weight 773. 00 g/mol, PubChem CID 9918635.
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.
Applications & Classification
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.
Catalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for Anemarrhenasaponin Ia (CAS 221317-02-8)?
Anemarrhenasaponin Ia is identified by CAS 221317-02-8, with molecular formula C40H68O14, molecular weight 773, InChIKey IHMGCJXHLUVQOY-UNAFYQAQSA-N.
Can I request a COA for CAS 221317-02-8?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Anemarrhenasaponin Ia?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 221317-02-8 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.