Research chemical
CAS Number: 1658474-60-2
![(8S,8aS,15aR,15bR,16S)-16-(acetyloxy)-8,8a,15,15a-tetrahydro-4,11,14-trihydroxy-8a-methoxy-6,9-dimethyl-7H-8,15b-methano-1H,3H,12H-benzo[de]cyclohepta[1,2-g:3,4,5-d'e']bis[2]benzopyran-3,7,12-trione molecular structure, CAS 1658474-60-2](/structure-images/1658474-60-2.png?v=struct-v3)
Product details
PubChem CID
156588933
Exact Mass
548.131862
InChIKey
YIZTWZUVIZZEGP-CFFYBBSFSA-N
IUPAC Name
[(1R,2R,13S,14S,24S)-5,9,19-trihydroxy-13-methoxy-11,17-dimethyl-7,15,21-trioxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8,10,12(26),16(25),17,19-heptaen-24-yl] acetate
SMILES String
CO[C@@]12c3c(C)cc(O)c4c(=O)oc(O)c(c34)C[C@@H]1[C@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@@H]3OC(C)=O
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(8S,8aS,15aR,15bR,16S)-16-(acetyloxy)-8,8a,15,15a-tetrahydro-4,11,14-trihydroxy-8a-methoxy-6,9-dimethyl-7H-8,15b-methano-1H,3H,12H-benzo[de]cyclohepta[1,2-g:3,4,5-d'e']bis[2]benzopyran-3,7,12-trione is identified by CAS 1658474-60-2, with molecular formula C29H24O11, molecular weight 548.5, InChIKey YIZTWZUVIZZEGP-CFFYBBSFSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
For laboratory research and professional procurement workflows.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
40
H-bond acceptors
11
H-bond donors
3
Rotatable bonds
2
Ring count
7
Aromatic rings
3
Topological polar surface area
169.8 Ų
Computed LogP
2.41
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
50 g/mol, PubChem CID 156588933.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
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