Research chemical
CAS Number: 150044-49-8
![NCGC00347767-02_C32H36O13_6H-10,13-Etheno-19,15-metheno-3H,15H,23H-pyrano[3,4-c][1,7,14]trioxacycloheneicosin-6,23-dione, 4-ethylidene-3-(beta-D-glucopyranosyloxy)-4,4a,5,8,9,20,21-heptahydro-16-hydroxy-, (3S,4Z,4aS)- molecular structure, CAS 150044-49-8](/structure-images/150044-49-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
45359891
Exact Mass
628.215591
InChIKey
YRQNFHSTTZXQBU-HTVHDVGDSA-N
IUPAC Name
(15S,16Z,17S)-16-ethylidene-4-hydroxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,10,14,20-tetraoxatetracyclo[21.2.2.13,7.012,17]octacosa-1(25),3,5,7(28),12,23,26-heptaene-11,19-dione
SMILES String
C/C=C1\[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCCc3ccc(O)c(c3)Oc3ccc(cc3)CCOC(=O)C[C@H]21
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
NCGC00347767-02_C32H36O13_6H-10,13-Etheno-19,15-metheno-3H,15H,23H-pyrano[3,4-c][1,7,14]trioxacycloheneicosin-6,23-dione, 4-ethylidene-3-(beta-D-glucopyranosyloxy)-4,4a,5,8,9,20,21-heptahydro-16-hydroxy-, (3S,4Z,4aS)- is identified by CAS 150044-49-8, with molecular formula C32H36O13, molecular weight 628.6, InChIKey YRQNFHSTTZXQBU-HTVHDVGDSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
45
H-bond acceptors
13
H-bond donors
5
Rotatable bonds
3
Ring count
6
Aromatic rings
2
Topological polar surface area
190.67 Ų
Computed LogP
1.38
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
60 g/mol, PubChem CID 45359891.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
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