Research chemical
CAS Number: 129046-69-1
![(1R,2R,5S,8S,9S,12R,14S,17R,18R,21S,24S,25S,28R,30S)-rel-2,9,18,25-tetramethyl-12,28-bis[(1S)-1-[(2S,5R)-tetrahydro-5-methyl-2-furanyl]ethyl]-11,27,33,34,35,36-hexaoxapentacyclo[28.2.1.15,8.114,17.121,24]hexatriacontane-3,10,19,26-tetrone molecular structure, CAS 129046-69-1](/structure-images/129046-69-1.png?v=struct-v3)
PubChem CID
12003079
Exact Mass
844.533678
InChIKey
MXPYTLCDIMCGEQ-XXWADCRTSA-N
IUPAC Name
(1R,2R,5S,8S,9S,12R,14S,17R,18R,21S,24S,25S,28R,30S)-2,9,18,25-tetramethyl-12,28-bis[(1S)-1-[(2S,5R)-5-methyloxolan-2-yl]ethyl]-11,27,33,34,35,36-hexaoxapentacyclo[28.2.1.15,8.114,17.121,24]hexatriacontane-3,10,19,26-tetrone
SMILES String
C[C@@H]([C@@H]1CC[C@@H](C)O1)[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H]([C@@H](C)[C@@H]2CC[C@@H](C)O2)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O1
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(1R,2R,5S,8S,9S,12R,14S,17R,18R,21S,24S,25S,28R,30S)-rel-2,9,18,25-tetramethyl-12,28-bis[(1S)-1-[(2S,5R)-tetrahydro-5-methyl-2-furanyl]ethyl]-11,27,33,34,35,36-hexaoxapentacyclo[28.2.1.15,8.114,17.121,24]hexatriacontane-3,10,19,26-tetrone is identified by CAS 129046-69-1, with molecular formula C48H76O12, molecular weight 845.1, InChIKey MXPYTLCDIMCGEQ-XXWADCRTSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Product details
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
60
H-bond acceptors
12
H-bond donors
0
Rotatable bonds
4
Ring count
7
Aromatic rings
0
Topological polar surface area
142.12 Ų
Computed LogP
7.66
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
(1R,2R,5S,8S,9S,12R,14S,17R,18R,21S,24S,25S,28R,30S)-rel-2,9,18,25-tetramethyl-12,28-bis[(1S)-1-[(2S,5R)-tetrahydro-5-methyl-2-furanyl]ethyl]-11,27,33,34,35,36-hexaoxapentacyclo[28. 2. 1. 15,8. 114,17.
Sourcing context
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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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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.