Research chemical
CAS Number: 1055032-77-3
![(11aR,13S,14R,15R,15aR)-13-(3,5-Dihydroxy-4-(3-(4-hydroxyphenyl)propanoyl)phenoxy)-2,3,4,5,6,7,14-heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-15-yl 3,4,5-trihydroxybenzoate molecular structure, CAS 1055032-77-3](/structure-images/1055032-77-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
11297504
Exact Mass
890.154173
InChIKey
PLESAOGBVATPML-VHBRHXFYSA-N
IUPAC Name
[(10R,11R,12R,13S,15R)-13-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
SMILES String
O=C(O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c(C(=O)CCc3ccc(O)cc3)c(O)c2)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1
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.
(11aR,13S,14R,15R,15aR)-13-(3,5-Dihydroxy-4-(3-(4-hydroxyphenyl)propanoyl)phenoxy)-2,3,4,5,6,7,14-heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-15-yl 3,4,5-trihydroxybenzoate is identified by CAS 1055032-77-3, with molecular formula C42H34O22, molecular weight 890.7, InChIKey PLESAOGBVATPML-VHBRHXFYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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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
64
H-bond acceptors
22
H-bond donors
13
Rotatable bonds
8
Ring count
7
Aromatic rings
5
Topological polar surface area
377.42 Ų
Computed LogP
2.72
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
70 g/mol, PubChem CID 11297504.
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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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.