Research chemical
CAS Number: 1459719-53-9
![3,11-Dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-5,10-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid molecular structure, CAS 1459719-53-9](/structure-images/1459719-53-9.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
78100583
Exact Mass
828.450736
InChIKey
IRXSNGAQRPMOKM-UHFFFAOYSA-N
SMILES String
CC1(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(OC3OC(CO)C(O)C(O)C3O)C2(C(=O)O)CC1O
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.
3,11-Dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-5,10-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid is identified by CAS 1459719-53-9, with molecular formula C42H68O16, molecular weight 829, InChIKey IRXSNGAQRPMOKM-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.
Heavy atom count
58
H-bond acceptors
16
H-bond donors
11
Rotatable bonds
7
Ring count
7
Aromatic rings
0
Topological polar surface area
276.52 Ų
Computed LogP
-0.21
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
00 g/mol, PubChem CID 78100583.
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.