Research chemical
CAS Number: 114694-12-1
![(5Z,7E)-(1S,3R)-1,3-Bis[tert-butyl(dimethylsilyl)oxy]-22-hydroxy-23,24-dinor-9,10-secochola-5,7,10(19)-triene molecular structure, CAS 114694-12-1](/structure-images/114694-12-1.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
11512556
Exact Mass
574.423749
InChIKey
WBUHPAHBCMHESO-FLJNKPCASA-N
IUPAC Name
(2S)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol
SMILES String
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CO)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(5Z,7E)-(1S,3R)-1,3-Bis[tert-butyl(dimethylsilyl)oxy]-22-hydroxy-23,24-dinor-9,10-secochola-5,7,10(19)-triene is identified by CAS 114694-12-1, with molecular formula C34H62O3Si2, molecular weight 575, InChIKey WBUHPAHBCMHESO-FLJNKPCASA-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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
39
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
7
Ring count
3
Aromatic rings
0
Topological polar surface area
38.69 Ų
Computed LogP
9.81
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
(5Z,7E)-(1S,3R)-1,3-Bis[tert-butyl(dimethylsilyl)oxy]-22-hydroxy-23,24-dinor-9,10-secochola-5,7,10(19)-triene (CAS 114694-12-1) is maintained as a commercial cas reference with formula C34H62O3Si2, molecular weight 575. 00 g/mol, PubChem CID 11512556.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.