Research chemical
CAS Number: 179388-54-6
![2,4,6-trihydroxy-5-[(1S)-1-[(4S)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]benzene-1,3-dicarbaldehyde molecular structure, CAS 179388-54-6](/structure-images/179388-54-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
56776316
Exact Mass
490.293054
InChIKey
PXQFFMATXFLUPK-UHFFFAOYSA-N
IUPAC Name
2,4,6-trihydroxy-5-[1-[4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]benzene-1,3-dicarbaldehyde
SMILES String
CC(C)CC(c1c(O)c(C=O)c(O)c(C=O)c1O)C1CCC(C)(O)C2CC(C(C)(C)O)CCC12C
No physical property values available.
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.
2,4,6-trihydroxy-5-[(1S)-1-[(4S)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]benzene-1,3-dicarbaldehyde is identified by CAS 179388-54-6, with molecular formula C28H42O7, molecular weight 490.6, InChIKey PXQFFMATXFLUPK-UHFFFAOYSA-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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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
35
H-bond acceptors
7
H-bond donors
5
Rotatable bonds
7
Ring count
3
Aromatic rings
1
Topological polar surface area
135.29 Ų
Computed LogP
4.91
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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 56776316.
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; structure-derived tags include drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
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